data_2dj7_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 2dj7 _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' ' ' HIS . . . . . . . . . . . . . 9.9 m80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.834 0.349 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.3 t -53.35 128.51 28.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.65 16.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.43 -37.4 0.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -123.93 -5.23 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.3 mptt 62.96 49.2 3.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 38' ' ' TRP . 3.7 tt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.883 0.373 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.442 ' N ' HD23 ' A' ' 31' ' ' LEU . 4.4 mm? -71.31 121.57 18.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.455 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -169.45 123.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mp 61.55 44.47 9.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 51.34 26.09 2.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -129.16 175.99 8.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -123.07 116.24 23.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.527 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -123.36 153.84 39.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -69.6 170.05 11.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.4 t -76.05 -12.67 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.8 p -122.98 17.33 10.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.1 m -118.74 -33.55 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.455 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 9.2 t80 -71.62 106.22 3.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -153.48 165.85 34.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.7 t -48.76 167.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.574 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.0 tp-100 -106.61 -15.73 14.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.7 m -101.42 -40.89 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.7 p -107.26 -19.56 13.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.2 p 62.48 52.94 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.0 p -109.81 129.62 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.1 mm -48.55 126.93 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.0 mt -109.75 110.38 21.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.8 p -126.25 -43.15 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -74.91 -72.45 1.04 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -134.68 152.08 51.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.844 0.354 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -166.57 161.42 15.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.528 HD12 ' CG ' ' A' ' 69' ' ' TYR . 2.2 mt -127.23 130.58 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.3 p -98.0 133.21 42.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.571 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 2.4 tmtt? -130.47 137.84 49.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.462 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 36.6 t70 41.12 29.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.95 35.83 23.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.442 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 12.7 t -140.18 127.34 12.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 0.0 111.16 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.2 15.69 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.627 2.218 . . . . 0.0 112.363 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.5 m-85 -137.33 155.35 49.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 31.1 p -93.97 165.74 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -64.2 -5.92 5.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 t -87.96 -70.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' GLN . 68.8 m-20 -59.88 -57.61 12.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.528 ' CG ' HD12 ' A' ' 57' ' ' ILE . 11.3 t80 -42.39 -57.23 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -61.56 -21.31 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.62 -18.5 22.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' ASP . 20.8 mt-30 -88.18 -61.75 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 14.9 m-85 -107.81 -14.76 14.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.4 m80 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.5 t -53.11 129.97 32.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.4 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.96 17.49 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.09 -38.47 0.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 p -124.43 -2.38 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.377 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 60.27 53.06 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.928 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.52 126.81 31.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.567 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -168.73 124.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 34' ' ' LEU . 6.6 mp 57.34 49.89 12.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 49.26 25.61 1.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -127.42 -179.61 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -127.31 116.15 20.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.489 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -123.77 143.99 49.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -64.59 171.48 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.7 t -75.72 -11.85 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 p -124.07 18.09 9.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.6 m -119.78 -34.57 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.567 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 5.5 t80 -69.89 97.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.26 164.66 30.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.6 t -49.55 166.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.539 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.9 tp-100 -107.34 -18.11 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.414 HG22 ' CG ' ' A' ' 68' ' ' ASP . 24.1 m -96.14 -42.93 7.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.5 p -105.51 -24.4 12.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t 70.72 49.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.8 p -107.27 134.99 47.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.6 mm -51.66 128.95 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.4 mt -114.72 101.31 8.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.7 p -122.26 -34.44 3.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -84.16 -83.46 0.96 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -122.26 139.26 54.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -159.85 167.91 27.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.569 HG22 ' CE2' ' A' ' 69' ' ' TYR . 2.9 mt -131.67 136.54 56.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.088 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.1 p -100.86 132.67 46.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.543 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 6.3 tmtm? -128.42 133.44 48.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.419 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 6.5 t70 44.11 26.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.89 34.61 14.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.417 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 28.3 t -139.85 131.36 14.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 111.175 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 130.45 19.36 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.539 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 57.6 m-85 -141.46 147.17 37.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.81 164.5 17.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -62.45 -6.79 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -87.63 -70.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 71' ' ' ALA . 68.3 m-20 -58.72 -57.46 12.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.569 ' CE2' HG22 ' A' ' 57' ' ' ILE . 16.8 t80 -44.43 -53.69 6.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -61.18 -22.0 64.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.73 -18.55 21.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 5.8 mt-30 -90.61 -58.7 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.543 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.2 m-85 -117.85 20.23 13.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.443 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.0 m170 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.831 0.348 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.6 t -48.53 137.61 11.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.568 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -81.88 16.12 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.067 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.02 -49.48 0.19 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -110.79 -2.76 16.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 59.45 41.84 18.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 38' ' ' TRP . 2.5 tt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.842 0.353 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 32' ' ' LEU . 4.0 mm? -80.53 132.94 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.592 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -172.09 133.69 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.414 ' CD2' ' C ' ' A' ' 61' ' ' GLY . 6.8 mp 54.48 38.97 30.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.67 25.49 13.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm -126.85 178.4 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -123.12 116.35 23.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.568 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 1.3 m95 -123.17 146.06 48.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -68.91 171.3 8.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.1 t -74.03 -15.31 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.1 p -120.83 19.59 11.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.8 m -122.1 -33.19 3.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.592 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 10.7 t80 -71.84 100.15 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -149.97 170.37 19.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.0 t -52.9 167.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.578 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.9 tp-100 -107.77 -15.45 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.7 m -99.29 -42.59 6.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.8 p -107.36 -19.29 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 m 63.95 49.37 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.68 135.34 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.9 mm -55.78 127.11 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.3 mt -115.16 102.22 9.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.6 p -109.75 -42.13 4.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.59 -84.74 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.06 167.64 17.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -173.26 174.91 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.576 HG23 ' CE2' ' A' ' 69' ' ' TYR . 3.6 mt -125.71 132.2 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.6 p -99.73 129.0 45.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 7.7 tmtt? -129.63 133.0 46.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.6 t0 41.99 34.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.414 ' C ' ' CD2' ' A' ' 34' ' ' LEU . . . 75.66 36.87 41.67 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.475 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.436 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 21.5 t -143.31 126.92 9.22 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.66 0.743 . . . . 0.0 111.11 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.55 19.53 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.667 2.244 . . . . 0.0 112.418 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 64.4 m-85 -138.69 147.44 42.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 67' ' ' SER . 26.0 p -82.5 170.92 14.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -69.89 -6.28 31.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.412 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . 5.5 m -90.22 -71.19 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 71' ' ' ALA . 69.4 m-20 -56.33 -58.37 8.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.576 ' CE2' HG23 ' A' ' 57' ' ' ILE . 12.7 t80 -43.99 -55.73 4.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -60.34 -21.19 61.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.91 -22.02 18.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.423 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.3 mt-30 -87.98 -60.99 1.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.427 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.1 m-85 -113.82 20.84 15.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 m80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.861 0.362 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.2 t -63.57 131.83 49.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.533 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.96 19.97 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.72 -37.51 0.44 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p -127.12 3.8 6.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt 53.08 53.01 12.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.917 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.893 0.377 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.74 121.51 21.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.514 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -165.74 134.29 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.509 ' CD2' ' C ' ' A' ' 61' ' ' GLY . 6.5 mp 53.85 43.52 30.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 t0 52.21 25.97 3.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -128.9 179.66 5.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -125.67 116.3 21.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.546 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -123.32 157.4 33.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -73.81 169.37 17.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -72.56 -19.27 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.1 p -116.81 19.71 14.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.8 m -122.02 -34.28 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.514 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 23.2 t80 -71.17 99.33 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -150.25 172.4 15.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.1 t -54.47 166.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.558 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.6 tp-100 -108.15 -16.83 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.411 HG21 ' CG ' ' A' ' 68' ' ' ASP . 23.6 m -98.89 -39.43 8.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.8 p -109.28 -20.76 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 m 63.79 54.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.1 p -111.01 134.79 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.5 mm -54.17 124.2 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.1 mt -110.84 111.49 22.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.4 p -126.38 -41.76 1.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.93 -78.92 0.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -119.77 146.6 45.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -166.4 166.43 16.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.566 HG22 ' CE2' ' A' ' 69' ' ' TYR . 4.0 mt -132.21 136.88 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.8 p -105.77 128.44 53.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.499 ' HD2' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -126.78 135.83 51.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.6 t70 41.82 28.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.509 ' C ' ' CD2' ' A' ' 34' ' ' LEU . . . 82.53 35.07 20.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' LYS . 33.3 t -140.17 129.3 13.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.578 0.704 . . . . 0.0 111.145 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 132.1 22.59 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.558 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.4 m-85 -143.38 144.47 32.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.3 p -84.6 165.46 17.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -63.1 -6.74 4.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.6 t -88.24 -70.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' GLN . 81.0 m-20 -58.39 -58.59 7.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.566 ' CE2' HG22 ' A' ' 57' ' ' ILE . 8.7 t80 -43.12 -57.02 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -58.06 -24.36 58.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -94.0 -18.0 22.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 68' ' ' ASP . 5.8 mt-30 -95.75 -62.04 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.499 ' CE2' ' HD2' ' A' ' 59' ' ' LYS . 2.0 m-85 -110.94 21.39 16.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.9 m80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.9 t -52.05 132.12 32.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.577 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -83.2 23.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.93 -43.4 0.18 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.9 p -117.63 -2.29 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.937 0.398 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 60.34 44.69 12.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.939 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.7 130.01 39.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.966 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -173.27 130.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mp 57.66 43.56 22.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 51.9 28.05 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -129.51 175.65 8.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -125.23 116.2 21.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.577 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -123.61 160.87 26.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -78.38 171.53 14.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.89 -18.2 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.7 p -119.61 20.8 12.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.6 m -122.62 -30.67 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -74.38 88.48 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.79 166.41 24.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.1 t -47.72 166.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.564 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.8 tp-100 -108.52 -16.23 14.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.42 HG22 ' CG ' ' A' ' 68' ' ' ASP . 33.5 m -99.89 -37.15 9.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.3 p -112.93 -20.61 11.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.1 t 64.34 54.92 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.9 p -113.09 125.7 70.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.1 mm -41.5 131.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.0 mt -116.42 99.36 7.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.2 p -113.72 -43.57 3.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.14 -89.13 0.38 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.53 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.5 mp0 -110.88 145.27 38.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.37 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -162.76 155.49 19.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.563 HG22 ' CE2' ' A' ' 69' ' ' TYR . 3.6 mt -123.81 138.74 52.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.6 p -104.15 132.23 50.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 4.7 tmtt? -126.92 133.36 50.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t0 41.72 26.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . 85.78 38.31 8.82 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.451 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.2 t -143.5 130.96 10.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.731 . . . . 0.0 111.103 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 130.39 19.23 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.226 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.3 m-85 -141.03 150.15 42.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.0 p -89.07 164.53 15.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -63.17 -6.43 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.3 t -88.27 -70.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' ALA . 82.4 m-20 -58.35 -58.69 7.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.563 ' CE2' HG22 ' A' ' 57' ' ' ILE . 9.8 t80 -42.96 -58.35 2.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -57.78 -21.96 44.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.76 -21.06 19.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.443 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.2 mt-30 -90.74 -59.79 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 6.9 m-85 -115.23 21.57 14.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.9 m80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.9 t -61.45 131.08 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.526 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . . . -84.25 20.56 1.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.73 -36.06 0.46 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 p -123.3 -4.55 8.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.957 0.408 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mptt 61.03 50.47 5.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.911 0.386 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -74.97 130.05 38.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -171.89 137.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp 52.3 41.4 30.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.1 t70 54.22 27.03 7.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -130.39 176.37 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -122.64 116.2 23.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.556 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -123.42 158.49 31.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -78.39 167.35 21.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 t -70.34 -20.02 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 p -115.37 18.96 15.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.3 m -122.54 -32.62 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -72.73 99.17 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -148.93 171.28 16.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.5 t -52.43 166.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.571 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.5 tp-100 -107.56 -15.36 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.1 m -100.48 -40.44 7.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.6 p -108.19 -20.18 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 m 63.61 53.86 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -109.62 137.6 41.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.1 mm -55.27 128.33 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 mt -115.0 107.6 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.3 p -124.34 -36.64 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.47 -73.28 1.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -130.71 150.19 52.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -163.76 164.31 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.586 HG22 ' CE2' ' A' ' 69' ' ' TYR . 2.2 mt -132.24 131.95 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.154 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.8 p -100.1 133.03 45.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 60' ' ' ASP . 1.8 tmtt? -129.44 132.26 46.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.472 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 27.5 t70 43.94 33.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.4 37.13 32.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.471 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 20.7 t -141.74 128.29 11.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 111.161 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 131.21 20.75 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 57.6 m-85 -142.72 152.2 42.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 30.4 p -90.74 172.47 8.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -69.61 -5.86 27.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -89.05 -70.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' ALA . 73.0 m-20 -59.16 -57.3 13.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.586 ' CE2' HG22 ' A' ' 57' ' ' ILE . 31.1 t80 -42.56 -57.79 2.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -61.21 -20.95 63.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.76 -16.62 24.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' ASP . 9.4 mt-30 -96.64 -63.68 1.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 2.2 m-85 -109.78 19.89 18.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.3 m80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.857 0.361 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.1 t -54.01 130.06 36.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -81.98 17.46 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.47 -40.15 0.51 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.8 p -122.88 -2.3 8.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm 60.86 51.26 4.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.919 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.503 HD21 ' CD2' ' A' ' 43' ' ' PHE . 3.7 tt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.858 0.361 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.1 113.44 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -153.19 138.25 17.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.414 ' N ' HD13 ' A' ' 34' ' ' LEU . 7.4 mp 50.29 43.92 26.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.4 t0 54.33 25.72 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -129.58 -177.96 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -125.34 116.54 22.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.501 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.8 m95 -121.93 155.45 35.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -75.93 164.81 25.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t -70.55 -11.24 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.6 p -124.81 20.41 8.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.8 m -123.88 -31.88 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.503 ' CD2' HD21 ' A' ' 31' ' ' LEU . 14.5 t80 -75.99 101.47 5.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -148.36 165.43 31.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.1 t -47.49 166.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.565 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.6 tp-100 -106.86 -15.08 14.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.4 m -99.23 -44.14 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.3 p -105.68 -21.93 13.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.7 p 68.07 45.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.7 p -98.01 134.75 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.6 mm -55.94 120.3 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mt -105.45 107.88 19.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.96 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.7 p -122.5 -35.12 3.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.15 -81.37 1.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -120.52 149.33 42.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -167.14 165.47 15.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.566 HG23 ' CE2' ' A' ' 69' ' ' TYR . 4.5 mt -128.92 134.07 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 p -101.07 130.87 47.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.566 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 4.7 tmtt? -130.04 132.92 46.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.41 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 44.1 t0 43.78 35.05 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.41 37.21 42.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.514 HG12 ' CZ ' ' A' ' 64' ' ' TYR . 28.1 t -142.57 126.06 9.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.664 0.745 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 128.6 16.29 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.73 2.287 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 59.4 m-85 -135.9 155.97 49.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.4 p -90.76 168.31 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -67.29 -6.45 18.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.4 t -90.03 -71.41 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 72' ' ' GLN . 48.8 m-20 -56.09 -57.41 12.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.566 ' CE2' HG23 ' A' ' 57' ' ' ILE . 25.0 t80 -44.07 -56.53 3.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -60.12 -20.74 59.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.98 -21.99 18.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.447 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 9.3 mt-30 -87.74 -62.09 1.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.566 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 4.3 m-85 -113.77 21.07 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.4 m80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.809 0.337 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.5 t -50.07 129.91 21.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.527 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.21 22.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.03 -45.37 0.16 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.2 p -113.11 -7.8 13.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm 62.06 49.08 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.89 127.58 32.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.951 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -167.55 132.02 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.526 ' CD2' ' C ' ' A' ' 61' ' ' GLY . 7.1 mp 53.47 42.48 31.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 54.73 25.95 7.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -129.15 174.83 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -119.9 116.58 26.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.527 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 1.4 m95 -123.17 155.23 37.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.4 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 28.0 m170 -74.88 165.58 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.0 t -68.64 -17.55 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.9 m -120.06 23.03 11.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 51.7 m -124.96 -32.8 2.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -72.26 85.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -133.85 170.54 15.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.6 t -49.44 168.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.559 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.7 tp-100 -107.97 -18.33 13.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.5 m -97.47 -39.98 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.0 p -108.63 -21.5 12.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 m 64.63 54.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.06 135.53 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.3 mm -54.38 121.69 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.0 mt -108.43 108.92 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.5 p -116.97 -47.65 2.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.01 -93.08 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -113.76 152.01 31.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.836 0.351 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -160.37 163.13 33.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.571 HG21 ' CE2' ' A' ' 69' ' ' TYR . 9.5 mt -120.48 137.01 55.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.8 p -107.08 126.99 53.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.547 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 5.2 tmtt? -125.9 134.11 51.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.469 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 6.6 t70 40.62 32.42 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.526 ' C ' ' CD2' ' A' ' 34' ' ' LEU . . . 79.19 36.5 27.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' LYS . 40.0 t -141.49 128.5 11.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.601 0.715 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 132.95 24.4 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.638 2.225 . . . . 0.0 112.339 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 62.3 m-85 -142.25 150.7 41.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 26.9 p -88.65 165.16 14.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -64.6 -5.96 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.408 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 23.0 t -90.24 -71.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 71' ' ' ALA . 84.9 m-20 -55.99 -57.13 13.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.571 ' CE2' HG21 ' A' ' 57' ' ' ILE . 14.6 t80 -44.37 -57.38 3.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -61.79 -17.25 55.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.89 -25.03 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -87.01 -64.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 23.1 m-85 -97.51 -22.09 16.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.479 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.0 m80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 t -39.36 155.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.525 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . . . -100.6 -3.55 30.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.35 -47.42 0.93 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.3 p -105.85 -11.38 16.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.922 0.392 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? 62.75 42.75 7.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 tt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.91 0.385 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.55 123.07 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.465 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -169.67 130.96 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.072 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.443 HD11 ' N ' ' A' ' 34' ' ' LEU . 6.6 mp 57.44 42.42 24.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.5 t70 51.99 25.73 3.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -130.13 175.42 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -117.59 116.36 26.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.525 ' CZ3' ' HB2' ' A' ' 19' ' ' ALA . 1.1 m95 -123.1 141.05 52.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.956 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -58.83 178.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.3 t -80.59 -12.93 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.4 t -124.74 17.66 8.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.5 m -115.8 -32.1 5.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 12.1 t80 -73.89 91.44 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -140.97 170.33 15.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.7 t -52.21 167.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.2 tp-100 -108.24 -15.54 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 m -99.21 -38.98 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.3 p -110.73 -19.62 12.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.2 m 63.2 52.7 2.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 p -106.18 136.47 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.0 mm -55.81 120.69 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mt -108.02 102.3 11.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.0 p -113.41 -40.82 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.85 -87.84 0.54 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -111.88 157.8 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -171.93 161.42 5.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.537 HG22 ' CE2' ' A' ' 69' ' ' TYR . 4.9 mt -124.4 135.66 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.5 p -103.41 130.75 50.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 3.9 tmtt? -129.97 134.69 47.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.464 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 26.4 t70 40.02 32.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.427 ' C ' HD22 ' A' ' 34' ' ' LEU . . . 78.82 36.71 28.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.502 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' LYS . 25.1 t -142.36 126.59 9.91 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 111.162 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 131.06 20.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 62.8 m-85 -139.57 152.44 46.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 26.8 p -88.17 169.65 11.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -69.12 -6.3 27.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.411 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 46.8 t -89.89 -71.54 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' GLN . 76.0 m-20 -56.92 -57.63 11.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.537 ' CE2' HG22 ' A' ' 57' ' ' ILE . 11.9 t80 -43.57 -56.88 3.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -61.21 -21.14 63.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.813 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -94.14 -19.13 21.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' ASP . 6.5 mt-30 -91.45 -63.8 1.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.1 m-85 -100.31 -19.99 16.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 m80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.3 t -46.7 130.52 11.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.574 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -83.48 22.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.56 -38.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -122.33 -4.92 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? 60.69 51.78 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.867 0.365 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.47 123.34 25.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -166.93 138.13 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mp 52.97 40.01 30.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 54.3 25.81 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -128.18 -179.25 4.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -124.33 116.29 22.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.574 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 2.5 m95 -123.23 158.75 30.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -77.23 174.59 10.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.6 t -76.91 -12.65 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.6 t -125.95 20.23 7.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.9 m -119.81 -34.74 3.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -71.61 86.53 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -134.71 167.58 20.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.3 t -48.73 168.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.578 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 8.2 tp-100 -108.35 -19.33 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 m -96.43 -39.59 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.3 p -109.25 -21.54 12.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m 64.26 52.23 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.8 p -108.08 129.04 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.4 mm -46.16 124.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.5 mt -108.32 109.76 21.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.3 p -124.9 -39.7 2.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -83.77 -87.17 0.83 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -108.79 137.55 46.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -155.96 151.09 26.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.579 HG22 ' CE2' ' A' ' 69' ' ' TYR . 2.6 mt -124.65 135.72 62.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.4 t -101.19 133.95 44.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.564 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 6.0 tmtm? -130.41 134.23 46.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t70 38.84 33.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.0 38.43 22.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' LYS . 42.3 t -143.44 126.6 8.99 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.598 0.713 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 129.21 17.21 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.6 m-85 -139.2 153.07 47.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.8 p -91.37 167.07 12.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.39 -5.81 8.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.9 t -89.3 -71.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' ALA . 78.6 m-20 -57.97 -59.04 5.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.579 ' CE2' HG22 ' A' ' 57' ' ' ILE . 11.9 t80 -44.15 -54.39 5.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -59.92 -22.44 62.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.74 -22.1 18.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' ASP . 8.0 mt-30 -90.49 -58.94 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 2.9 m-85 -113.54 21.05 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.9 m80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.7 t -56.56 133.18 53.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.574 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.12 18.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.95 -47.75 0.22 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.484 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.09 -2.87 13.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.391 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? 61.21 52.36 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 38' ' ' TRP . 3.8 tt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.792 0.33 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.13 120.75 15.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -168.15 133.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.547 ' CD2' ' C ' ' A' ' 61' ' ' GLY . 6.4 mp 54.0 42.49 31.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 51.37 31.7 7.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -132.05 178.27 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -124.11 115.96 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.574 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -123.66 161.5 24.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -78.92 161.39 26.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -67.46 -14.88 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.4 p -122.13 25.23 9.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.0 m -128.72 -32.97 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -72.04 94.04 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.411 ' HB2' ' C ' ' A' ' 50' ' ' VAL . 8.4 pttm -140.88 169.99 16.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.7 t -48.85 167.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.585 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.2 tp-100 -107.46 -17.67 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 83.8 m -98.29 -40.07 8.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.7 p -108.15 -21.14 12.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 m 65.27 53.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.411 ' C ' ' HB2' ' A' ' 44' ' ' LYS . 7.1 p -109.63 137.52 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.445 HG23 ' N ' ' A' ' 52' ' ' LEU . 48.0 mm -50.07 138.2 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' HG23 ' A' ' 51' ' ' ILE . 16.9 mt -125.33 105.91 9.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 t -133.54 -39.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.63 -53.29 4.38 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -151.54 146.35 25.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -166.18 168.97 14.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.557 HD13 ' CD1' ' A' ' 69' ' ' TYR . 7.6 mt -132.32 135.73 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.8 p -103.98 127.52 51.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.575 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 7.3 tmtt? -126.6 132.16 51.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER 42.95 32.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.547 ' C ' ' CD2' ' A' ' 34' ' ' LEU . . . 80.0 30.09 44.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.525 HG11 ' CZ ' ' A' ' 64' ' ' TYR . 22.3 t -132.96 123.88 18.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.668 0.747 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 129.21 17.19 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 61.5 m-85 -138.61 160.02 40.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 32.1 p -98.29 164.16 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -63.22 -5.94 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -88.79 -71.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 72' ' ' GLN . 80.6 m-20 -60.41 -53.19 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.557 ' CD1' HD13 ' A' ' 57' ' ' ILE . 15.0 t80 -45.47 -58.86 3.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -61.25 -17.76 55.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.834 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.95 -23.23 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' ASP . 7.8 mt-30 -90.97 -62.71 1.39 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 0.7 OUTLIER -96.64 -22.84 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.8 m80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.9 t -57.67 130.82 48.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.33 16.44 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.73 -41.48 0.42 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.0 p -119.47 -0.36 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 56.84 49.36 14.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 43' ' ' PHE . 4.5 tt . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.9 115.41 6.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.446 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . . . -164.81 123.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' N ' HD13 ' A' ' 34' ' ' LEU . 6.5 mp 62.05 45.08 7.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 50.19 27.5 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -130.27 177.82 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -125.02 116.37 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.543 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -123.37 153.71 39.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -67.67 165.14 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.8 t -72.92 -9.85 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 p -126.62 21.66 7.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.1 m -124.21 -30.51 3.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.569 ' CD2' HD23 ' A' ' 31' ' ' LEU . 34.1 t80 -72.85 96.67 2.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -144.98 170.13 16.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.2 t -52.01 167.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.574 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 11.2 tp-100 -107.39 -17.65 14.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.9 m -98.0 -42.58 7.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.5 p -105.6 -20.86 13.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m 64.33 50.15 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.7 p -105.54 136.59 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.28 122.68 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.3 mt -107.5 108.55 19.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.4 p -121.21 -36.76 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.32 -87.42 0.64 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -120.6 141.61 50.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.382 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -153.7 169.23 23.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.533 HG22 ' CE2' ' A' ' 69' ' ' TYR . 4.8 mt -129.1 134.65 63.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.3 p -102.08 131.36 48.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.584 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 11.7 tmtt? -126.56 131.53 51.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 38.48 31.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . 83.38 37.39 12.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.459 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' LYS . 58.7 t -141.71 125.53 9.99 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.599 0.714 . . . . 0.0 111.135 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.9 16.7 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.334 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.6 m-85 -139.04 150.24 45.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.4 p -87.39 167.66 13.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -66.57 -5.79 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.2 t -89.1 -71.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 72' ' ' GLN . 60.7 m-20 -57.9 -59.56 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.533 ' CE2' HG22 ' A' ' 57' ' ' ILE . 7.9 t80 -43.25 -58.72 2.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -56.71 -24.78 51.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.07 -17.66 22.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.491 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 10.6 mt-30 -88.66 -63.28 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.584 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 3.0 m-85 -110.9 -1.35 16.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 -179.921 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.8 m80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.822 0.344 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.3 t -58.15 129.07 40.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.88 15.54 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -120.24 -41.64 0.54 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 p -119.98 -3.37 10.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm 61.08 50.36 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 38' ' ' TRP . 5.0 tt . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.28 119.13 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.613 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -164.3 129.5 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 34' ' ' LEU . 6.8 mp 54.29 47.34 23.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 49.17 26.56 1.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -127.43 -177.93 4.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -126.84 116.58 21.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.497 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.6 m95 -123.24 157.6 32.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -74.49 169.05 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.3 t -74.42 -12.01 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.2 p -124.32 18.82 9.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.3 m -121.16 -31.28 4.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.613 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 10.4 t80 -72.97 83.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.22 163.23 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.0 t -44.09 165.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.574 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 11.4 tp-100 -105.04 -13.0 15.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 45.1 m -104.25 -43.47 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.2 p -104.15 -20.23 13.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.6 p 64.83 49.41 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.1 p -106.98 129.79 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 52' ' ' LEU . 48.5 mm -45.08 137.43 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.475 ' N ' HG22 ' A' ' 51' ' ' ILE . 15.5 mt -124.06 108.57 12.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 t -132.87 -42.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.87 -61.7 2.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -140.09 148.74 42.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.352 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -168.3 170.87 9.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.521 HG23 ' CZ ' ' A' ' 69' ' ' TYR . 3.0 mt -138.08 130.1 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 t -95.21 131.44 41.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 4.0 tmtt? -129.86 132.41 46.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.471 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 36.4 t0 44.18 31.51 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.3 31.65 41.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.445 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 21.5 t -136.41 129.51 17.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.616 0.722 . . . . 0.0 111.122 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 128.69 16.38 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.724 2.283 . . . . 0.0 112.32 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.7 m-85 -138.9 156.96 46.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.9 p -97.02 168.49 10.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -65.48 -5.47 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -88.32 -70.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' ALA . 58.5 m-20 -60.26 -56.24 23.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.521 ' CZ ' HG23 ' A' ' 57' ' ' ILE . 17.3 t80 -43.02 -57.6 2.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -65.59 -16.88 64.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.94 -16.55 23.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' ASP . 9.2 mt-30 -96.89 -63.03 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 8.0 m-85 -100.73 -19.59 15.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 m80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.838 0.351 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -58.55 130.36 46.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.443 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.49 21.13 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.48 -42.6 0.26 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.9 p -120.02 -0.09 10.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.903 0.382 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt 58.53 52.01 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.565 HD22 ' CD2' ' A' ' 43' ' ' PHE . 4.3 tt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.853 0.359 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.8 124.07 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.414 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -166.06 128.21 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.064 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp 58.97 42.82 18.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 54.04 27.58 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -131.34 177.34 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -124.32 116.47 22.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.548 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -123.5 159.53 28.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -78.66 169.04 18.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.7 t -71.6 -20.37 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 p -116.17 21.1 13.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.6 m -123.21 -35.02 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.565 ' CD2' HD22 ' A' ' 31' ' ' LEU . 15.9 t80 -71.45 95.86 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -144.87 167.88 21.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.0 t -50.47 166.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.579 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.2 tp-100 -106.9 -15.85 14.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.1 m -99.09 -43.44 6.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.9 p -105.66 -20.11 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 m 63.96 54.8 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.4 p -110.95 133.05 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.3 mm -47.29 128.35 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.6 mt -112.84 99.2 7.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.3 p -117.9 -43.61 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.31 -74.35 0.99 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -124.5 154.23 40.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.381 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -169.84 157.03 6.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.53 HD12 ' CG ' ' A' ' 69' ' ' TYR . 7.3 mt -126.67 134.69 65.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.4 p -100.67 130.07 46.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.569 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 3.2 tmtt? -130.49 132.15 45.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.952 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.482 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 37.7 t70 40.59 39.83 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.04 37.57 60.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.523 HG11 ' CZ ' ' A' ' 64' ' ' TYR . 21.3 t -142.95 122.46 7.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 130.25 19.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.23 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.579 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 64.6 m-85 -137.19 161.13 37.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 32.0 p -96.82 165.19 12.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.6 -5.78 4.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -88.97 -71.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 71' ' ' ALA . 57.7 m-20 -59.03 -58.17 9.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.53 ' CG ' HD12 ' A' ' 57' ' ' ILE . 15.2 t80 -43.51 -55.88 3.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -57.34 -23.78 51.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.77 -21.95 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.478 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 7.2 mt-30 -87.74 -61.48 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 5.8 m-85 -114.65 21.79 14.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.6 m80 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.839 0.352 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.3 t -53.24 133.17 39.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.443 ' HB1' ' CD2' ' A' ' 38' ' ' TRP . . . -82.14 18.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.37 -41.32 0.36 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -122.47 1.78 9.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp 55.6 49.23 16.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.833 0.349 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' N ' HD21 ' A' ' 32' ' ' LEU . 4.0 mm? -77.02 125.89 30.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.459 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -163.64 134.81 4.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.3 mp 51.36 43.83 29.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 54.17 26.42 6.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -127.79 -179.3 4.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -125.68 116.02 21.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.499 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.2 m95 -123.52 150.26 44.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -68.44 171.43 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.8 t -75.5 -14.77 15.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.5 p -120.49 17.36 12.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.7 m -118.38 -39.05 3.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.459 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 9.5 t80 -65.02 86.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.09 164.14 28.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.0 t -49.53 167.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.1 tp-100 -108.09 -15.0 14.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.439 ' CG2' ' CG ' ' A' ' 68' ' ' ASP . 3.4 m -99.21 -41.77 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.6 p -109.29 -20.33 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 p 67.48 46.36 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.4 p -105.19 128.95 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.469 HG21 ' N ' ' A' ' 52' ' ' LEU . 27.3 mm -43.82 137.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.469 ' N ' HG21 ' A' ' 51' ' ' ILE . 19.0 mt -123.67 107.21 11.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 t -132.74 -39.06 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.04 -62.72 2.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -140.2 143.82 36.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -168.45 159.56 10.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.516 HG23 ' CZ ' ' A' ' 69' ' ' TYR . 2.0 mt -126.09 135.96 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.121 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.6 t -98.03 134.08 41.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 3.6 tmtt? -130.31 135.55 48.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' LYS . 16.3 t70 38.52 32.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.14 37.93 23.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 59' ' ' LYS . 37.7 t -142.96 127.79 9.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.622 0.725 . . . . 0.0 111.109 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 130.42 19.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.1 m-85 -140.98 149.8 42.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 67' ' ' SER . 25.8 p -84.71 170.16 13.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -68.62 -6.58 26.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.415 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . 38.8 m -90.48 -70.71 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.439 ' CG ' ' CG2' ' A' ' 47' ' ' THR . 75.4 m-20 -55.92 -59.12 5.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.516 ' CZ ' HG23 ' A' ' 57' ' ' ILE . 15.5 t80 -43.79 -55.66 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -58.87 -22.79 59.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.77 -21.79 19.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.473 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 13.0 mt-30 -88.35 -59.93 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 6.4 m-85 -116.18 21.14 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.0 m80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.848 0.356 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.42 131.34 45.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.431 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.72 18.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.05 -41.11 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.38 -1.61 10.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? 57.15 52.95 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 38' ' ' TRP . 3.0 tt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.78 114.25 6.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.407 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -161.42 127.28 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 61' ' ' GLY . 7.0 mp 61.5 41.24 12.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.3 t0 52.79 26.18 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -127.97 176.27 7.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -121.18 116.1 24.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.505 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 1.1 m95 -123.48 152.73 41.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -69.18 162.95 26.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.0 t -70.67 -10.32 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 p -125.79 21.29 7.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.5 m -124.65 -31.14 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.407 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 39.3 t80 -71.97 99.91 2.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -147.86 170.22 18.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.8 t -51.4 167.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.571 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.8 tp-100 -108.69 -18.0 13.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.2 m -97.85 -37.69 9.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.2 p -111.37 -20.91 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m 64.53 55.0 1.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -110.71 136.06 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.4 mm -54.8 123.49 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.0 mt -110.25 104.68 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 74.4 p -118.21 -40.63 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.186 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.51 -83.96 0.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -116.34 148.32 40.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.928 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -165.93 158.04 14.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.509 HG22 ' CZ ' ' A' ' 69' ' ' TYR . 3.7 mt -125.23 136.09 61.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.9 p -102.4 134.39 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 5.7 tmtm? -129.67 137.82 50.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.464 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 19.6 t0 39.92 26.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . 84.41 36.85 11.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.491 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 22.9 t -141.43 130.64 12.56 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 111.093 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 129.4 17.58 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.65 2.233 . . . . 0.0 112.403 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 63.2 m-85 -139.56 152.93 47.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.7 p -88.8 170.6 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -68.54 -7.58 33.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.0 m -90.48 -71.41 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -55.61 -55.66 29.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.509 ' CZ ' HG22 ' A' ' 57' ' ' ILE . 10.2 t80 -47.32 -53.72 12.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -60.91 -21.75 63.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.98 -20.33 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.504 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 5.3 mt-30 -89.8 -60.06 2.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.6 m-85 -116.58 21.25 13.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.6 m80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.815 0.34 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -52.3 128.56 25.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.45 17.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.29 -39.67 0.5 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -122.16 -3.78 9.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? 61.59 53.31 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 38' ' ' TRP . 4.5 tt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.855 0.36 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.78 121.31 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.532 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -167.02 137.98 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.053 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mp 49.96 40.26 20.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.1 t0 54.91 26.6 8.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -129.01 176.09 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -120.43 115.91 24.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.516 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -123.65 153.62 40.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -68.65 168.9 12.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.9 t -74.58 -11.63 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.1 m -124.9 18.53 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.9 m -120.09 -32.08 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.532 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 10.7 t80 -71.99 81.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 161.75 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.3 t -44.21 167.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.585 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 8.1 tp-100 -106.53 -14.6 15.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.8 m -103.88 -38.39 7.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.6 p -110.01 -18.35 13.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.4 p 61.43 48.65 5.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 50' ' ' VAL . 5.5 p -105.62 121.19 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 52' ' ' LEU . 38.2 mm -38.94 136.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.442 ' N ' HG22 ' A' ' 51' ' ' ILE . 19.0 mt -123.27 106.68 10.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.27 -39.86 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.52 -78.88 0.91 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.49 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -120.96 151.66 39.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -172.61 163.94 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.576 HG22 ' CE2' ' A' ' 69' ' ' TYR . 2.8 mt -129.77 136.75 58.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 96.4 p -101.29 133.05 46.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 1.5 tmtt? -130.46 133.27 46.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.474 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 38.3 t70 39.57 37.63 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.44 38.08 45.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.43 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 26.1 t -142.71 125.84 9.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.719 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 128.28 15.85 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.4 m-85 -137.86 153.34 49.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 31.5 p -92.58 165.56 12.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -63.65 -6.04 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -88.57 -71.07 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' GLN . 81.7 m-20 -59.16 -56.89 16.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.576 ' CE2' HG22 ' A' ' 57' ' ' ILE . 28.2 t80 -42.85 -58.85 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -62.06 -18.87 62.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.95 -18.67 21.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' ASP . 12.3 mt-30 -94.51 -64.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.566 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 7.7 m-85 -97.93 -21.42 16.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.449 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.3 m80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.833 0.349 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.5 t -60.04 148.26 36.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.563 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . . . -94.98 8.21 43.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -117.28 -49.13 0.41 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.477 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -108.15 -8.69 15.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 61.96 45.39 7.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.863 0.363 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 32' ' ' LEU . 4.5 mm? -72.73 123.63 23.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.462 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . . . -166.27 123.63 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' A' ' 35' ' ' ASP . 6.1 mp 61.21 48.67 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 2.7 p30 48.17 25.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -129.37 174.02 10.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -119.08 116.45 26.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 19' ' ' ALA . 1.3 m95 -123.07 153.8 39.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -69.72 175.58 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.8 t -77.8 -13.23 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -125.28 18.56 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.0 m -118.21 -29.24 5.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 33' ' ' ALA . 24.9 t80 -75.37 79.11 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 167.88 17.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.1 t -47.43 167.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.56 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.6 tp-100 -107.85 -14.8 14.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 97.1 m -101.56 -37.86 8.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.9 p -110.98 -20.28 12.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 m 64.18 52.37 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.808 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.5 p -106.98 137.03 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.1 mm -54.49 128.99 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.6 mt -117.22 108.57 15.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.2 p -122.23 -32.14 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.72 -90.32 1.33 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -108.49 146.33 33.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.824 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -165.24 156.6 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.527 HG22 ' CE2' ' A' ' 69' ' ' TYR . 3.5 mt -120.78 135.15 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.3 p -108.1 132.46 53.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.582 ' HE2' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -129.94 131.54 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.512 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 28.9 t70 45.36 33.65 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.55 27.84 56.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.467 HG13 ' CZ ' ' A' ' 64' ' ' TYR . 22.6 t -129.4 122.92 21.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 111.137 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 130.82 20.04 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 61.3 m-85 -140.09 155.1 47.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.1 p -91.27 175.87 6.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -74.33 -7.1 51.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.7 m -90.86 -71.61 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.465 ' HB3' ' NE2' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -55.12 -57.7 10.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.527 ' CE2' HG22 ' A' ' 57' ' ' ILE . 12.0 t80 -44.52 -56.85 3.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -62.04 -19.06 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.72 -18.57 21.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.465 ' NE2' ' HB3' ' A' ' 68' ' ' ASP . 2.0 mt-30 -99.11 -62.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.582 ' CE2' ' HE2' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -96.72 -20.83 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.946 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.4 m80 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.845 0.355 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.4 t -64.57 131.52 47.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.585 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -83.34 22.61 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.06 -40.6 0.28 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.3 p -121.43 -3.59 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt 62.38 42.96 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.933 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.869 0.366 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.11 132.79 44.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.442 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -169.27 138.28 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp 49.52 45.35 24.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 52.0 28.23 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -129.13 178.89 6.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -125.06 115.69 20.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.585 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -124.04 159.46 29.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -75.48 167.03 22.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.5 t -72.35 -10.62 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.2 p -126.88 21.67 6.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.0 m -123.65 -31.63 3.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.442 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 17.9 t80 -72.88 81.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.0 166.76 20.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.4 t -45.73 167.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.525 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.8 tp-100 -108.04 -17.84 13.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.427 HG21 ' CG ' ' A' ' 68' ' ' ASP . 50.0 m -96.43 -40.28 9.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.6 p -108.8 -24.33 11.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 t 70.88 53.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.0 p -111.22 137.15 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.0 mm -48.81 137.64 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.4 mt -125.71 106.97 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 t -131.95 -39.54 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.35 -69.07 1.42 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -131.41 135.22 46.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.875 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -158.61 157.03 31.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.524 HG23 ' CZ ' ' A' ' 69' ' ' TYR . 4.2 mt -124.14 133.51 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.5 p -96.38 132.31 42.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -131.12 131.88 44.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.474 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 39.3 t0 39.56 37.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.47 36.7 43.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.545 HG13 ' CZ ' ' A' ' 64' ' ' TYR . 21.7 t -142.92 123.5 8.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.661 0.744 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 126.98 13.96 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.709 2.272 . . . . 0.0 112.346 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.545 ' CZ ' HG13 ' A' ' 62' ' ' VAL . 63.6 m-85 -132.27 159.68 38.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.9 p -95.04 165.09 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -64.93 -5.5 6.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.1 t -89.69 -71.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.427 ' CG ' HG21 ' A' ' 47' ' ' THR . 75.0 m-20 -57.79 -58.49 8.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.524 ' CZ ' HG23 ' A' ' 57' ' ' ILE . 14.7 t80 -43.99 -56.85 3.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -55.8 -23.08 28.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.59 -22.37 18.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.519 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 6.0 mt-30 -85.68 -62.45 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.519 ' CD1' ' HB3' ' A' ' 72' ' ' GLN . 3.7 m-85 -115.03 20.93 14.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.926 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.7 m80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.838 0.351 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.2 t -41.38 156.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.64 -7.11 24.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.79 -42.69 1.52 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.463 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -109.14 -10.66 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt 59.56 50.05 7.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.46 HD13 ' CB ' ' A' ' 43' ' ' PHE . 5.2 tt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.853 0.359 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.67 126.54 30.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -170.7 128.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.063 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp 60.21 42.06 15.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.5 t0 54.84 25.57 6.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -131.19 174.7 9.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -122.09 117.69 26.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.598 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.5 OUTLIER -123.14 147.29 46.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -66.08 172.66 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t -76.42 -10.94 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.4 p -123.17 16.95 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.5 m -118.15 -36.48 3.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.46 ' CB ' HD13 ' A' ' 31' ' ' LEU . 15.9 t80 -69.79 105.93 2.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -153.57 168.38 26.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.5 t -50.45 167.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.582 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.9 tp-100 -107.3 -19.51 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.1 m -96.85 -42.29 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.04 -21.58 13.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m 63.43 54.94 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.0 p -109.16 136.3 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.7 mm -54.32 120.86 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 mt -105.68 103.33 12.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 69.4 p -115.91 -39.59 3.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.84 -84.51 0.77 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -114.67 157.45 23.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -169.19 158.84 8.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.539 HG21 ' CE2' ' A' ' 69' ' ' TYR . 3.2 mt -128.52 128.01 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.182 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.9 p -96.56 131.12 43.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 62' ' ' VAL . 7.7 tmtm? -131.02 132.79 45.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER 42.8 37.47 1.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.61 29.53 61.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.539 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 4.0 t -134.91 121.21 14.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.569 0.7 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 125.96 12.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 66.7 m-85 -132.91 159.53 39.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 30.3 p -94.4 172.87 7.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -69.94 -5.86 29.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.6 t -90.02 -71.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' ALA . 80.4 m-20 -57.94 -55.99 27.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.539 ' CE2' HG21 ' A' ' 57' ' ' ILE . 6.9 t80 -44.51 -53.97 6.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -68.12 -16.53 64.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -94.02 -16.86 23.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -98.12 -64.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.424 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.8 m-85 -105.23 20.87 18.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.543 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -146.55 109.36 4.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -153.88 152.41 30.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.69 117.0 1.97 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t -157.0 121.75 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.847 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.3 m -146.31 159.38 43.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.33 107.26 0.31 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -131.41 142.61 46.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.572 0.701 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 138.1 36.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.639 2.226 . . . . 0.0 112.375 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.475 ' CG1' HG21 ' A' ' 12' ' ' ILE . 10.3 tp -84.96 120.76 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -91.03 39.93 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.475 HG21 ' CG1' ' A' ' 10' ' ' ILE . 2.7 pp -89.73 20.37 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -79.59 115.99 19.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 47.05 84.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -167.99 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.2 m 61.43 45.72 8.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -62.99 147.15 51.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.3 t -53.35 128.51 28.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.65 16.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.43 -37.4 0.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -123.93 -5.23 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.3 mptt 62.96 49.2 3.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -123.42 133.98 54.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -56.14 124.22 17.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.47 HG12 ' CD2' ' A' ' 39' ' ' HIS . 39.1 mt -92.83 78.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -119.5 -48.01 2.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -80.58 -31.14 36.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.01 -157.78 29.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -115.97 163.77 15.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.7 p -122.9 166.86 14.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 38' ' ' TRP . 3.7 tt -134.82 121.77 21.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.442 ' N ' HD23 ' A' ' 31' ' ' LEU . 4.4 mm? -71.31 121.57 18.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.455 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -169.45 123.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mp 61.55 44.47 9.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 51.34 26.09 2.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -129.16 175.99 8.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -123.07 116.24 23.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.527 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -123.36 153.84 39.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.47 ' CD2' HG12 ' A' ' 25' ' ' ILE . 29.6 m170 -69.6 170.05 11.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.4 t -76.05 -12.67 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.8 p -122.98 17.33 10.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.1 m -118.74 -33.55 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.455 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 9.2 t80 -71.62 106.22 3.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -153.48 165.85 34.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.7 t -48.76 167.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.574 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.0 tp-100 -106.61 -15.73 14.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.7 m -101.42 -40.89 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.7 p -107.26 -19.56 13.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.2 p 62.48 52.94 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.0 p -109.81 129.62 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.1 mm -48.55 126.93 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.0 mt -109.75 110.38 21.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.8 p -126.25 -43.15 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -74.91 -72.45 1.04 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -134.68 152.08 51.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.844 0.354 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -166.57 161.42 15.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.528 HD12 ' CG ' ' A' ' 69' ' ' TYR . 2.2 mt -127.23 130.58 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.3 p -98.0 133.21 42.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.571 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 2.4 tmtt? -130.47 137.84 49.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.462 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 36.6 t70 41.12 29.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.95 35.83 23.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.442 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 12.7 t -140.18 127.34 12.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 0.0 111.16 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.2 15.69 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.627 2.218 . . . . 0.0 112.363 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.5 m-85 -137.33 155.35 49.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 31.1 p -93.97 165.74 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -64.2 -5.92 5.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 t -87.96 -70.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' GLN . 68.8 m-20 -59.88 -57.61 12.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.528 ' CG ' HD12 ' A' ' 57' ' ' ILE . 11.3 t80 -42.39 -57.23 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -61.56 -21.31 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.62 -18.5 22.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' ASP . 20.8 mt-30 -88.18 -61.75 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 14.9 m-85 -107.81 -14.76 14.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -72.0 -42.85 50.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -97.58 134.5 40.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -128.99 -99.56 0.93 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 178.65 4.35 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.305 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -48.07 -55.57 9.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 m -83.21 47.75 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.112 -0.826 . . . . 0.0 112.469 -179.991 . . . . . . . . 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 -0.348 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -155.18 161.61 41.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.877 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -105.59 -43.43 4.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.47 96.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 t -90.69 121.87 32.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -143.82 144.78 31.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.45 123.77 1.62 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -138.14 116.43 9.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 158.75 55.82 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.631 2.221 . . . . 0.0 112.34 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.97 164.16 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 mtmm -67.48 115.19 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.1 mm -132.7 101.04 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -60.14 -53.88 52.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 61.54 62.53 5.7 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.405 ' HG3' ' CD ' ' A' ' 24' ' ' GLU . 53.7 Cg_endo -69.75 175.94 7.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.705 2.27 . . . . 0.0 112.351 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 m -66.88 117.22 8.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -103.94 145.18 30.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.5 t -53.11 129.97 32.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.4 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.96 17.49 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.09 -38.47 0.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 p -124.43 -2.38 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.377 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 60.27 53.06 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -124.67 133.61 53.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.405 ' CD ' ' HG3' ' A' ' 15' ' ' PRO . 25.3 tt0 -54.0 122.44 10.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.8 mt -94.02 136.11 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' HIS . 9.3 mptt -81.71 39.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' LYS . 11.7 t-80 34.58 40.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -128.24 -82.14 0.34 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.55 42.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 82.8 p -93.09 162.46 14.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 tt -129.85 119.25 23.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.52 126.81 31.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.567 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -168.73 124.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 34' ' ' LEU . 6.6 mp 57.34 49.89 12.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 49.26 25.61 1.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -127.42 -179.61 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -127.31 116.15 20.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.489 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -123.77 143.99 49.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -64.59 171.48 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.7 t -75.72 -11.85 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 p -124.07 18.09 9.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.6 m -119.78 -34.57 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.567 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 5.5 t80 -69.89 97.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.26 164.66 30.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.6 t -49.55 166.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.539 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.9 tp-100 -107.34 -18.11 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.414 HG22 ' CG ' ' A' ' 68' ' ' ASP . 24.1 m -96.14 -42.93 7.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.5 p -105.51 -24.4 12.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t 70.72 49.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.8 p -107.27 134.99 47.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.6 mm -51.66 128.95 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.4 mt -114.72 101.31 8.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.7 p -122.26 -34.44 3.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -84.16 -83.46 0.96 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -122.26 139.26 54.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -159.85 167.91 27.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.569 HG22 ' CE2' ' A' ' 69' ' ' TYR . 2.9 mt -131.67 136.54 56.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.088 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.1 p -100.86 132.67 46.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.543 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 6.3 tmtm? -128.42 133.44 48.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.419 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 6.5 t70 44.11 26.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.89 34.61 14.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.417 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 28.3 t -139.85 131.36 14.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 111.175 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 130.45 19.36 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.539 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 57.6 m-85 -141.46 147.17 37.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.81 164.5 17.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -62.45 -6.79 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -87.63 -70.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 71' ' ' ALA . 68.3 m-20 -58.72 -57.46 12.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.569 ' CE2' HG22 ' A' ' 57' ' ' ILE . 16.8 t80 -44.43 -53.69 6.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -61.18 -22.0 64.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.73 -18.55 21.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 5.8 mt-30 -90.61 -58.7 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.543 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.2 m-85 -117.85 20.23 13.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -113.8 -34.89 1.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.443 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.9 t -171.06 149.06 2.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.834 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.39 123.83 1.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.526 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -29.4 24.09 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.379 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.7 t -168.12 122.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.8 t -152.04 130.76 12.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.484 179.985 . . . . . . . . 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 -0.318 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -174.52 118.53 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -140.79 176.05 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.4 157.09 26.45 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.433 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -102.22 -62.14 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -173.56 167.56 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.24 60.68 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.525 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -158.02 125.96 2.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 174.63 9.22 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.6 tp -110.81 149.76 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -115.23 51.53 0.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.1 pt -100.68 38.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -130.71 144.92 51.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.43 -168.28 34.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -175.79 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 p -69.03 122.36 18.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -110.47 139.5 45.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.6 t -48.53 137.61 11.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.568 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -81.88 16.12 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.067 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.02 -49.48 0.19 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -110.79 -2.76 16.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 59.45 41.84 18.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -110.86 135.01 52.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -51.25 125.3 13.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 65.6 mt -99.2 77.28 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.124 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -69.76 -68.06 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -74.98 177.0 6.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 29' ' ' GLN . . . -55.64 -109.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' GLY . 3.6 tp60 35.24 35.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 28' ' ' GLY . 83.0 p -115.32 171.94 7.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 38' ' ' TRP . 2.5 tt -147.35 122.75 10.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 32' ' ' LEU . 4.0 mm? -80.53 132.94 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.592 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -172.09 133.69 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.414 ' CD2' ' C ' ' A' ' 61' ' ' GLY . 6.8 mp 54.48 38.97 30.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.67 25.49 13.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm -126.85 178.4 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -123.12 116.35 23.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.568 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 1.3 m95 -123.17 146.06 48.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -68.91 171.3 8.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.1 t -74.03 -15.31 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.1 p -120.83 19.59 11.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.8 m -122.1 -33.19 3.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.592 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 10.7 t80 -71.84 100.15 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -149.97 170.37 19.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.0 t -52.9 167.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.578 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.9 tp-100 -107.77 -15.45 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.7 m -99.29 -42.59 6.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.8 p -107.36 -19.29 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 m 63.95 49.37 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.68 135.34 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.9 mm -55.78 127.11 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.3 mt -115.16 102.22 9.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.6 p -109.75 -42.13 4.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.59 -84.74 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.06 167.64 17.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -173.26 174.91 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.576 HG23 ' CE2' ' A' ' 69' ' ' TYR . 3.6 mt -125.71 132.2 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.6 p -99.73 129.0 45.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 7.7 tmtt? -129.63 133.0 46.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.6 t0 41.99 34.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.414 ' C ' ' CD2' ' A' ' 34' ' ' LEU . . . 75.66 36.87 41.67 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.475 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.436 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 21.5 t -143.31 126.92 9.22 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.66 0.743 . . . . 0.0 111.11 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.55 19.53 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.667 2.244 . . . . 0.0 112.418 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 64.4 m-85 -138.69 147.44 42.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 67' ' ' SER . 26.0 p -82.5 170.92 14.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -69.89 -6.28 31.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.412 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . 5.5 m -90.22 -71.19 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 71' ' ' ALA . 69.4 m-20 -56.33 -58.37 8.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.576 ' CE2' HG23 ' A' ' 57' ' ' ILE . 12.7 t80 -43.99 -55.73 4.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -60.34 -21.19 61.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.91 -22.02 18.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.423 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.3 mt-30 -87.98 -60.99 1.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.427 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.1 m-85 -113.82 20.84 15.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -116.69 -38.84 0.87 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 m -137.23 161.77 35.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.906 0.384 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.95 89.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 90.52 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.654 2.236 . . . . 0.0 112.374 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.3 t -87.93 -47.04 8.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 t -125.37 152.49 44.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.477 -179.968 . . . . . . . . 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 1.451 -0.306 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -135.63 139.11 43.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 t -153.28 144.99 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.8 -162.16 24.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -159.65 132.36 6.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.905 0.383 . . . . 0.0 110.818 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 p -144.18 138.35 28.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.59 73.56 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 8.7 ptpp? -100.32 108.82 54.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.621 0.724 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 8' ' ' LYS . 53.8 Cg_endo -69.75 145.55 57.58 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.7 pt -115.84 160.06 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -106.11 88.46 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.0 mt -76.47 87.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -153.54 152.89 31.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.23 63.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' O ' ' CE1' ' A' ' 17' ' ' HIS . 53.8 Cg_endo -69.78 -175.61 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.266 . . . . 0.0 112.339 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.1 m -69.35 109.8 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.403 ' CE1' ' O ' ' A' ' 15' ' ' PRO . 8.0 m80 -98.96 153.06 19.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.2 t -63.57 131.83 49.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.533 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.96 19.97 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.72 -37.51 0.44 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p -127.12 3.8 6.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt 53.08 53.01 12.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -125.05 131.36 53.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -48.06 124.14 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.9 mt -92.72 109.41 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -65.01 149.36 49.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -65.09 89.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.27 -45.96 0.23 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.426 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -117.54 103.62 10.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 110.915 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.3 p -155.15 159.26 40.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tt -133.78 115.25 14.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.74 121.51 21.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.514 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -165.74 134.29 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.509 ' CD2' ' C ' ' A' ' 61' ' ' GLY . 6.5 mp 53.85 43.52 30.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 t0 52.21 25.97 3.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -128.9 179.66 5.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -125.67 116.3 21.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.546 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -123.32 157.4 33.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -73.81 169.37 17.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -72.56 -19.27 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.1 p -116.81 19.71 14.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.8 m -122.02 -34.28 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.514 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 23.2 t80 -71.17 99.33 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -150.25 172.4 15.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.1 t -54.47 166.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.558 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.6 tp-100 -108.15 -16.83 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.411 HG21 ' CG ' ' A' ' 68' ' ' ASP . 23.6 m -98.89 -39.43 8.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.8 p -109.28 -20.76 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 m 63.79 54.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.1 p -111.01 134.79 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.5 mm -54.17 124.2 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.1 mt -110.84 111.49 22.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.4 p -126.38 -41.76 1.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.93 -78.92 0.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -119.77 146.6 45.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -166.4 166.43 16.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.566 HG22 ' CE2' ' A' ' 69' ' ' TYR . 4.0 mt -132.21 136.88 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.8 p -105.77 128.44 53.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.499 ' HD2' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -126.78 135.83 51.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.6 t70 41.82 28.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.509 ' C ' ' CD2' ' A' ' 34' ' ' LEU . . . 82.53 35.07 20.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' LYS . 33.3 t -140.17 129.3 13.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.578 0.704 . . . . 0.0 111.145 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 132.1 22.59 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.558 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.4 m-85 -143.38 144.47 32.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.3 p -84.6 165.46 17.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -63.1 -6.74 4.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.6 t -88.24 -70.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' GLN . 81.0 m-20 -58.39 -58.59 7.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.566 ' CE2' HG22 ' A' ' 57' ' ' ILE . 8.7 t80 -43.12 -57.02 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -58.06 -24.36 58.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -94.0 -18.0 22.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 68' ' ' ASP . 5.8 mt-30 -95.75 -62.04 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.499 ' CE2' ' HD2' ' A' ' 59' ' ' LYS . 2.0 m-85 -110.94 21.39 16.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -115.06 -36.3 1.25 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.9 t -83.28 161.61 21.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.458 ' C ' ' H ' ' A' ' 78' ' ' SER . . . -141.18 -72.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 78' ' ' SER . 53.4 Cg_endo -69.82 11.45 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.65 2.234 . . . . 0.0 112.349 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.524 ' C ' ' O ' ' A' ' 77' ' ' PRO . 27.6 p -27.46 122.19 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.6 p -78.53 144.6 35.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.5 -179.995 . . . . . . . . 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 -0.339 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 t -152.01 144.31 24.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -168.9 121.95 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.17 178.8 44.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -173.77 147.06 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.908 0.385 . . . . 0.0 110.857 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 p -173.16 153.38 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.45 103.31 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -154.05 131.53 6.17 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 177.98 5.02 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.462 ' CG1' HG12 ' A' ' 12' ' ' ILE . 6.4 tp -113.5 144.8 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' N ' HG13 ' A' ' 10' ' ' ILE . 20.8 mmtp -99.81 67.42 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.462 HG12 ' CG1' ' A' ' 10' ' ' ILE . 25.9 pt -133.8 126.39 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -175.23 146.94 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.839 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.13 77.18 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -172.51 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.419 ' CB ' ' NE2' ' A' ' 37' ' ' GLN . 74.0 m -95.86 136.85 35.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.828 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -118.76 137.93 53.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.9 t -52.05 132.12 32.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.577 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -83.2 23.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.93 -43.4 0.18 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.9 p -117.63 -2.29 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.937 0.398 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 60.34 44.69 12.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.939 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -113.3 133.9 54.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -54.54 122.25 10.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.0 mt -97.69 77.55 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 27' ' ' HIS . 13.1 pttm -102.95 -43.21 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.459 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 10.0 t60 -34.35 -51.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 145.88 -62.87 0.46 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -43.34 110.2 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.813 0.339 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.1 p -142.14 163.8 31.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tt -135.95 108.0 7.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.7 130.01 39.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.966 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -173.27 130.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mp 57.66 43.56 22.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 51.9 28.05 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -129.51 175.65 8.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' NE2' ' CB ' ' A' ' 16' ' ' SER . 30.3 mt-30 -125.23 116.2 21.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.577 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -123.61 160.87 26.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -78.38 171.53 14.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.89 -18.2 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.7 p -119.61 20.8 12.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.6 m -122.62 -30.67 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -74.38 88.48 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.79 166.41 24.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.1 t -47.72 166.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.564 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.8 tp-100 -108.52 -16.23 14.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.42 HG22 ' CG ' ' A' ' 68' ' ' ASP . 33.5 m -99.89 -37.15 9.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.3 p -112.93 -20.61 11.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.1 t 64.34 54.92 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.9 p -113.09 125.7 70.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.1 mm -41.5 131.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.0 mt -116.42 99.36 7.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.2 p -113.72 -43.57 3.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.14 -89.13 0.38 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.53 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.5 mp0 -110.88 145.27 38.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.37 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -162.76 155.49 19.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.563 HG22 ' CE2' ' A' ' 69' ' ' TYR . 3.6 mt -123.81 138.74 52.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.6 p -104.15 132.23 50.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 4.7 tmtt? -126.92 133.36 50.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t0 41.72 26.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . 85.78 38.31 8.82 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.451 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.2 t -143.5 130.96 10.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.731 . . . . 0.0 111.103 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 130.39 19.23 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.226 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.3 m-85 -141.03 150.15 42.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.0 p -89.07 164.53 15.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -63.17 -6.43 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.3 t -88.27 -70.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' ALA . 82.4 m-20 -58.35 -58.69 7.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.563 ' CE2' HG22 ' A' ' 57' ' ' ILE . 9.8 t80 -42.96 -58.35 2.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -57.78 -21.96 44.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.76 -21.06 19.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.443 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.2 mt-30 -90.74 -59.79 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 6.9 m-85 -115.23 21.57 14.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -111.46 -36.67 1.72 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.6 p -99.99 86.84 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.379 . . . . 0.0 110.841 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 78' ' ' SER . . . -94.21 178.34 37.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.515 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 15.9 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.485 ' H ' ' C ' ' A' ' 76' ' ' GLY . 71.9 m -76.47 52.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.1 m 53.2 47.63 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.524 179.992 . . . . . . . . 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 . . . . . 0.414 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 1' ' ' GLY . 75.5 p 37.06 41.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.841 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -146.43 153.22 40.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.74 106.67 0.19 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 m -114.66 148.57 37.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.887 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -130.48 117.78 20.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.75 54.23 0.12 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -78.15 121.95 84.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.592 0.71 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -173.67 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.6 pt -113.41 153.7 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -88.86 116.44 27.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.1 mt -118.74 79.46 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -74.96 -59.72 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.57 116.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -42.96 3.02 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 m -160.66 149.57 16.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -137.14 157.13 47.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.9 t -61.45 131.08 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.526 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . . . -84.25 20.56 1.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.73 -36.06 0.46 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 p -123.3 -4.55 8.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.957 0.408 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mptt 61.03 50.47 5.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -125.58 133.81 52.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -51.93 125.55 15.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.8 mt -93.26 83.21 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' HIS . 9.4 mmmm -58.51 128.92 39.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -34.52 130.12 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.71 -47.81 0.61 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -151.63 132.18 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 110.893 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.2 p -167.85 156.82 9.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tt -122.58 112.86 18.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -74.97 130.05 38.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -171.89 137.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp 52.3 41.4 30.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.1 t70 54.22 27.03 7.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -130.39 176.37 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -122.64 116.2 23.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.556 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -123.42 158.49 31.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -78.39 167.35 21.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 t -70.34 -20.02 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 p -115.37 18.96 15.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.3 m -122.54 -32.62 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -72.73 99.17 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -148.93 171.28 16.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.5 t -52.43 166.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.571 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.5 tp-100 -107.56 -15.36 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.1 m -100.48 -40.44 7.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.6 p -108.19 -20.18 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 m 63.61 53.86 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -109.62 137.6 41.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.1 mm -55.27 128.33 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 mt -115.0 107.6 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.3 p -124.34 -36.64 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.47 -73.28 1.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -130.71 150.19 52.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -163.76 164.31 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.586 HG22 ' CE2' ' A' ' 69' ' ' TYR . 2.2 mt -132.24 131.95 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.154 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.8 p -100.1 133.03 45.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 60' ' ' ASP . 1.8 tmtt? -129.44 132.26 46.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.472 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 27.5 t70 43.94 33.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.4 37.13 32.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.471 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 20.7 t -141.74 128.29 11.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 111.161 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 131.21 20.75 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 57.6 m-85 -142.72 152.2 42.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 30.4 p -90.74 172.47 8.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -69.61 -5.86 27.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -89.05 -70.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' ALA . 73.0 m-20 -59.16 -57.3 13.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.586 ' CE2' HG22 ' A' ' 57' ' ' ILE . 31.1 t80 -42.56 -57.79 2.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -61.21 -20.95 63.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.76 -16.62 24.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' ASP . 9.4 mt-30 -96.64 -63.68 1.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 2.2 m-85 -109.78 19.89 18.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -104.39 -33.52 3.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.6 p -57.51 147.13 27.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.358 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.64 -108.31 2.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -35.94 11.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.321 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -94.72 121.58 36.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.6 m -91.23 163.33 14.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.453 179.995 . . . . . . . . 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 1.451 -0.355 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -167.09 163.93 15.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.896 0.379 . . . . 0.0 110.849 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -153.61 164.29 38.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.15 -166.21 16.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -169.65 149.79 3.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.828 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.5 p -132.68 169.3 16.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' C ' ' HD2' ' A' ' 8' ' ' LYS . . . -105.18 169.74 16.87 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 7' ' ' GLY . 4.0 mptt -142.8 133.72 12.62 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -174.18 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.3 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.434 ' N ' HD13 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -136.84 154.21 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.95 84.77 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 13' ' ' ARG . 40.4 mt -54.87 -60.24 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' ILE . 15.1 tpp180 34.42 48.14 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.2 -75.39 0.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 170.25 17.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.703 2.268 . . . . 0.0 112.321 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.473 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 50.7 m -119.41 126.99 52.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -93.63 142.84 26.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.1 t -54.01 130.06 36.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -81.98 17.46 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.47 -40.15 0.51 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.8 p -122.88 -2.3 8.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm 60.86 51.26 4.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -123.9 131.2 53.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -50.52 125.25 12.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.9 mt -96.03 70.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -96.22 -36.19 11.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' LYS . 3.2 m80 -37.05 -38.4 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 132.3 -67.74 0.56 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -47.43 139.5 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -162.39 156.23 21.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.503 HD21 ' CD2' ' A' ' 43' ' ' PHE . 3.7 tt -123.02 108.21 12.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.1 113.44 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -153.19 138.25 17.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.414 ' N ' HD13 ' A' ' 34' ' ' LEU . 7.4 mp 50.29 43.92 26.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.4 t0 54.33 25.72 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -129.58 -177.96 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.473 ' NE2' ' HB2' ' A' ' 16' ' ' SER . 18.1 mt-30 -125.34 116.54 22.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.501 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.8 m95 -121.93 155.45 35.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -75.93 164.81 25.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t -70.55 -11.24 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.6 p -124.81 20.41 8.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.8 m -123.88 -31.88 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.503 ' CD2' HD21 ' A' ' 31' ' ' LEU . 14.5 t80 -75.99 101.47 5.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -148.36 165.43 31.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.1 t -47.49 166.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.565 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.6 tp-100 -106.86 -15.08 14.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.4 m -99.23 -44.14 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.3 p -105.68 -21.93 13.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.7 p 68.07 45.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.7 p -98.01 134.75 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.6 mm -55.94 120.3 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mt -105.45 107.88 19.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.96 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.7 p -122.5 -35.12 3.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.15 -81.37 1.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -120.52 149.33 42.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -167.14 165.47 15.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.566 HG23 ' CE2' ' A' ' 69' ' ' TYR . 4.5 mt -128.92 134.07 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 p -101.07 130.87 47.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.566 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 4.7 tmtt? -130.04 132.92 46.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.41 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 44.1 t0 43.78 35.05 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.41 37.21 42.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.514 HG12 ' CZ ' ' A' ' 64' ' ' TYR . 28.1 t -142.57 126.06 9.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.664 0.745 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 128.6 16.29 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.73 2.287 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 59.4 m-85 -135.9 155.97 49.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.4 p -90.76 168.31 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -67.29 -6.45 18.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.4 t -90.03 -71.41 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 72' ' ' GLN . 48.8 m-20 -56.09 -57.41 12.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.566 ' CE2' HG23 ' A' ' 57' ' ' ILE . 25.0 t80 -44.07 -56.53 3.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -60.12 -20.74 59.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.98 -21.99 18.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.447 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 9.3 mt-30 -87.74 -62.09 1.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.566 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 4.3 m-85 -113.77 21.07 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -114.07 -39.31 1.06 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.1 t -70.98 164.16 26.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.22 116.84 0.68 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 114.51 3.73 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.313 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.0 t -65.36 -57.97 7.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 76.3 p -51.77 141.69 16.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.504 179.985 . . . . . . . . 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 -0.32 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -164.45 134.97 4.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -161.48 175.35 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.2 99.14 0.3 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t -171.23 125.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -134.02 151.15 51.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.55 88.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.89 143.2 27.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.571 0.701 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 157.4 60.48 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.381 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.2 tt -112.29 128.71 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -83.5 84.67 7.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.4 mt -83.37 103.76 11.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -110.01 138.28 46.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.17 -67.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 122.74 9.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.5 m -61.32 132.04 52.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -111.19 138.01 48.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.5 t -50.07 129.91 21.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.527 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.21 22.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.03 -45.37 0.16 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.2 p -113.11 -7.8 13.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm 62.06 49.08 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -126.35 129.92 49.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -45.86 124.91 5.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.42 HG12 ' NE2' ' A' ' 39' ' ' HIS . 88.4 mt -91.51 117.67 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -58.15 152.76 16.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -68.64 95.47 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 150.58 -77.62 0.23 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -74.49 97.81 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.4 p -153.28 166.27 33.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -135.82 119.61 17.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.89 127.58 32.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.951 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -167.55 132.02 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.526 ' CD2' ' C ' ' A' ' 61' ' ' GLY . 7.1 mp 53.47 42.48 31.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 54.73 25.95 7.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -129.15 174.83 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -119.9 116.58 26.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.527 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 1.4 m95 -123.17 155.23 37.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.42 ' NE2' HG12 ' A' ' 25' ' ' ILE . 28.0 m170 -74.88 165.58 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.0 t -68.64 -17.55 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.9 m -120.06 23.03 11.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 51.7 m -124.96 -32.8 2.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -72.26 85.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -133.85 170.54 15.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.6 t -49.44 168.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.559 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.7 tp-100 -107.97 -18.33 13.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.5 m -97.47 -39.98 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.0 p -108.63 -21.5 12.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 m 64.63 54.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.06 135.53 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.3 mm -54.38 121.69 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.0 mt -108.43 108.92 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.5 p -116.97 -47.65 2.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.01 -93.08 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -113.76 152.01 31.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.836 0.351 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -160.37 163.13 33.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.571 HG21 ' CE2' ' A' ' 69' ' ' TYR . 9.5 mt -120.48 137.01 55.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.8 p -107.08 126.99 53.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.547 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 5.2 tmtt? -125.9 134.11 51.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.469 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 6.6 t70 40.62 32.42 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.526 ' C ' ' CD2' ' A' ' 34' ' ' LEU . . . 79.19 36.5 27.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' LYS . 40.0 t -141.49 128.5 11.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.601 0.715 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 132.95 24.4 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.638 2.225 . . . . 0.0 112.339 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 62.3 m-85 -142.25 150.7 41.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 26.9 p -88.65 165.16 14.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -64.6 -5.96 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.408 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 23.0 t -90.24 -71.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 71' ' ' ALA . 84.9 m-20 -55.99 -57.13 13.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.571 ' CE2' HG21 ' A' ' 57' ' ' ILE . 14.6 t80 -44.37 -57.38 3.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -61.79 -17.25 55.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.89 -25.03 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -87.01 -64.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 23.1 m-85 -97.51 -22.09 16.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.71 -48.14 51.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.2 m -65.45 -61.13 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.932 0.396 . . . . 0.0 110.831 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -90.39 159.69 27.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 109.06 2.21 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.64 2.227 . . . . 0.0 112.391 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.2 t -44.09 145.56 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.8 t -92.24 -59.91 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.545 -179.957 . . . . . . . . 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 -0.355 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 p -174.38 126.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.92 0.39 . . . . 0.0 110.894 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -125.16 177.47 6.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.76 -169.09 23.55 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -143.07 133.17 24.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m -132.65 132.75 42.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.12 -165.1 12.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -91.56 138.64 25.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 10' ' ' ILE . 53.5 Cg_endo -69.74 -175.83 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.518 ' C ' ' O ' ' A' ' 9' ' ' PRO . 11.0 tp 27.76 48.19 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.99 38.39 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.439 HD13 ' C ' ' A' ' 12' ' ' ILE . 2.8 pp -114.56 29.35 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -54.52 139.68 37.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.65 -65.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.445 ' O ' ' CE1' ' A' ' 17' ' ' HIS . 54.0 Cg_endo -69.73 141.7 46.07 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.721 2.281 . . . . 0.0 112.349 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.3 m -63.38 124.73 22.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.445 ' CE1' ' O ' ' A' ' 15' ' ' PRO . 9.0 m80 -107.29 138.27 43.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 t -39.36 155.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.525 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . . . -100.6 -3.55 30.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.35 -47.42 0.93 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.3 p -105.85 -11.38 16.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.922 0.392 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? 62.75 42.75 7.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -112.75 135.26 53.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -47.83 123.3 5.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 61.0 mt -98.88 86.99 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -85.29 -60.21 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -50.02 149.72 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.77 46.26 2.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -122.13 57.73 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.5 p -106.73 159.31 16.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 tt -121.88 112.19 18.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.55 123.07 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.465 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -169.67 130.96 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.072 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.443 HD11 ' N ' ' A' ' 34' ' ' LEU . 6.6 mp 57.44 42.42 24.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.5 t70 51.99 25.73 3.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -130.13 175.42 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -117.59 116.36 26.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.525 ' CZ3' ' HB2' ' A' ' 19' ' ' ALA . 1.1 m95 -123.1 141.05 52.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.956 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -58.83 178.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.3 t -80.59 -12.93 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.4 t -124.74 17.66 8.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.5 m -115.8 -32.1 5.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 12.1 t80 -73.89 91.44 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -140.97 170.33 15.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.7 t -52.21 167.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.2 tp-100 -108.24 -15.54 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 m -99.21 -38.98 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.3 p -110.73 -19.62 12.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.2 m 63.2 52.7 2.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 p -106.18 136.47 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.0 mm -55.81 120.69 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mt -108.02 102.3 11.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.0 p -113.41 -40.82 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.85 -87.84 0.54 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -111.88 157.8 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -171.93 161.42 5.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.537 HG22 ' CE2' ' A' ' 69' ' ' TYR . 4.9 mt -124.4 135.66 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.5 p -103.41 130.75 50.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 3.9 tmtt? -129.97 134.69 47.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.464 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 26.4 t70 40.02 32.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.427 ' C ' HD22 ' A' ' 34' ' ' LEU . . . 78.82 36.71 28.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.502 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' LYS . 25.1 t -142.36 126.59 9.91 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 111.162 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 131.06 20.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 62.8 m-85 -139.57 152.44 46.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 26.8 p -88.17 169.65 11.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -69.12 -6.3 27.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.411 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 46.8 t -89.89 -71.54 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' GLN . 76.0 m-20 -56.92 -57.63 11.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.537 ' CE2' HG22 ' A' ' 57' ' ' ILE . 11.9 t80 -43.57 -56.88 3.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -61.21 -21.14 63.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.813 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -94.14 -19.13 21.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' ASP . 6.5 mt-30 -91.45 -63.8 1.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.1 m-85 -100.31 -19.99 16.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.84 -51.76 33.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.3 m -89.74 141.37 28.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 156.77 -148.48 18.38 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.507 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -172.71 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.27 . . . . 0.0 112.327 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -81.88 -40.2 22.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.3 t 72.82 42.14 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.483 -179.96 . . . . . . . . 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 1.452 -0.295 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.7 p -160.32 118.7 2.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.834 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -163.29 156.63 19.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.65 170.38 34.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -157.88 127.82 6.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -162.52 158.34 23.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.87 92.93 2.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -151.84 126.97 4.76 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.545 0.688 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 147.58 63.49 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.673 2.248 . . . . 0.0 112.397 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.463 HG22 ' CD1' ' A' ' 12' ' ' ILE . 1.8 tp -106.92 120.36 58.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.05 73.79 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.463 ' CD1' HG22 ' A' ' 10' ' ' ILE . 70.4 mt -81.62 122.55 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.4 ptp85 -168.54 164.69 12.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.19 122.41 12.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -164.42 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.629 2.219 . . . . 0.0 112.365 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.8 m 60.1 45.31 11.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -66.31 142.69 57.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.3 t -46.7 130.52 11.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.574 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -83.48 22.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.56 -38.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -122.33 -4.92 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? 60.69 51.78 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -126.64 132.32 51.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -48.38 123.74 7.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.3 mt -93.86 128.53 45.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -51.0 166.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.5 ' CD2' ' O ' ' A' ' 27' ' ' HIS . 31.8 p-80 -83.46 44.86 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -164.07 -73.97 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -66.23 106.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -160.09 157.18 28.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tt -124.01 111.33 15.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.962 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.47 123.34 25.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -166.93 138.13 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mp 52.97 40.01 30.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 54.3 25.81 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -128.18 -179.25 4.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -124.33 116.29 22.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.574 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 2.5 m95 -123.23 158.75 30.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -77.23 174.59 10.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.6 t -76.91 -12.65 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.6 t -125.95 20.23 7.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.9 m -119.81 -34.74 3.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -71.61 86.53 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -134.71 167.58 20.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.3 t -48.73 168.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.578 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 8.2 tp-100 -108.35 -19.33 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 m -96.43 -39.59 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.3 p -109.25 -21.54 12.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m 64.26 52.23 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.8 p -108.08 129.04 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.4 mm -46.16 124.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.5 mt -108.32 109.76 21.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.3 p -124.9 -39.7 2.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -83.77 -87.17 0.83 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -108.79 137.55 46.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -155.96 151.09 26.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.579 HG22 ' CE2' ' A' ' 69' ' ' TYR . 2.6 mt -124.65 135.72 62.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.4 t -101.19 133.95 44.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.564 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 6.0 tmtm? -130.41 134.23 46.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t70 38.84 33.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.0 38.43 22.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' LYS . 42.3 t -143.44 126.6 8.99 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.598 0.713 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 129.21 17.21 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.6 m-85 -139.2 153.07 47.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.8 p -91.37 167.07 12.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.39 -5.81 8.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.9 t -89.3 -71.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' ALA . 78.6 m-20 -57.97 -59.04 5.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.579 ' CE2' HG22 ' A' ' 57' ' ' ILE . 11.9 t80 -44.15 -54.39 5.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -59.92 -22.44 62.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.74 -22.1 18.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' ASP . 8.0 mt-30 -90.49 -58.94 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 2.9 m-85 -113.54 21.05 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -127.28 7.8 7.1 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.9 m -141.57 166.13 25.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.93 0.395 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 155.29 93.34 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.34 8.31 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 0.0 112.391 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.4 m -53.45 172.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.4 m -78.97 86.66 4.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.539 179.985 . . . . . . . . 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 1.452 -0.297 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -97.38 42.4 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 t -122.65 156.13 34.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.88 73.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -113.84 141.57 47.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.875 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -117.9 148.51 42.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.17 67.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.445 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HD3' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -173.81 153.37 2.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.536 0.684 . . . . 0.0 110.937 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 150.77 68.16 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.32 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.3 tp -105.03 118.89 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -89.51 66.86 7.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.423 ' O ' ' CD1' ' A' ' 12' ' ' ILE . 2.8 pp -118.24 35.27 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -55.17 -43.99 74.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.55 74.92 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 81.75 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.685 2.257 . . . . 0.0 112.302 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.7 p -125.14 40.85 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -59.19 141.29 54.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.7 t -56.56 133.18 53.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.574 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.12 18.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.95 -47.75 0.22 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.484 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.09 -2.87 13.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.391 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? 61.21 52.36 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -127.93 133.69 49.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -52.74 129.24 29.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.452 HG12 ' CD2' ' A' ' 39' ' ' HIS . 76.0 mt -94.47 87.03 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -133.67 -40.18 0.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -76.28 -46.58 27.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.13 -149.38 25.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -110.94 -177.6 3.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.6 p -135.8 173.23 11.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 38' ' ' TRP . 3.8 tt -142.29 114.29 8.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.13 120.75 15.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -168.15 133.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.547 ' CD2' ' C ' ' A' ' 61' ' ' GLY . 6.4 mp 54.0 42.49 31.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 51.37 31.7 7.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -132.05 178.27 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -124.11 115.96 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.574 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -123.66 161.5 24.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.452 ' CD2' HG12 ' A' ' 25' ' ' ILE . 31.6 m170 -78.92 161.39 26.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -67.46 -14.88 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.4 p -122.13 25.23 9.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.0 m -128.72 -32.97 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -72.04 94.04 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.411 ' HB2' ' C ' ' A' ' 50' ' ' VAL . 8.4 pttm -140.88 169.99 16.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.7 t -48.85 167.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.585 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.2 tp-100 -107.46 -17.67 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 83.8 m -98.29 -40.07 8.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.7 p -108.15 -21.14 12.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 m 65.27 53.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.411 ' C ' ' HB2' ' A' ' 44' ' ' LYS . 7.1 p -109.63 137.52 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.445 HG23 ' N ' ' A' ' 52' ' ' LEU . 48.0 mm -50.07 138.2 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' HG23 ' A' ' 51' ' ' ILE . 16.9 mt -125.33 105.91 9.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 t -133.54 -39.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.63 -53.29 4.38 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -151.54 146.35 25.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -166.18 168.97 14.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.557 HD13 ' CD1' ' A' ' 69' ' ' TYR . 7.6 mt -132.32 135.73 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.8 p -103.98 127.52 51.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.575 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 7.3 tmtt? -126.6 132.16 51.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER 42.95 32.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.547 ' C ' ' CD2' ' A' ' 34' ' ' LEU . . . 80.0 30.09 44.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.525 HG11 ' CZ ' ' A' ' 64' ' ' TYR . 22.3 t -132.96 123.88 18.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.668 0.747 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 129.21 17.19 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 61.5 m-85 -138.61 160.02 40.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 32.1 p -98.29 164.16 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -63.22 -5.94 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -88.79 -71.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 72' ' ' GLN . 80.6 m-20 -60.41 -53.19 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.557 ' CD1' HD13 ' A' ' 57' ' ' ILE . 15.0 t80 -45.47 -58.86 3.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -61.25 -17.76 55.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.834 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.95 -23.23 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' ASP . 7.8 mt-30 -90.97 -62.71 1.39 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 0.7 OUTLIER -96.64 -22.84 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.86 -50.6 46.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.6 m -79.99 161.41 25.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.85 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -152.59 -151.71 5.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -178.2 2.24 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.324 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.3 m -97.22 80.86 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.1 t -135.18 149.91 50.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.47 -179.984 . . . . . . . . 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 -0.309 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 p -136.46 144.74 44.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 t -118.18 42.27 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.5 38.8 1.55 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -69.99 102.11 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.851 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -154.06 116.98 4.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.08 -173.79 16.69 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 pttp -168.65 111.38 0.54 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.57 0.7 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -177.29 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.733 2.289 . . . . 0.0 112.343 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 tt -135.89 151.75 29.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -100.43 84.59 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.4 mm -104.59 117.79 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -109.06 -37.97 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.02 66.68 1.0 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.551 ' HG2' ' CE1' ' A' ' 17' ' ' HIS . 53.5 Cg_endo -69.81 159.76 52.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.237 . . . . 0.0 112.315 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 p -91.37 130.89 37.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.551 ' CE1' ' HG2' ' A' ' 15' ' ' PRO . 22.8 m80 -125.28 146.74 49.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.9 t -57.67 130.82 48.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.33 16.44 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.73 -41.48 0.42 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.0 p -119.47 -0.36 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 56.84 49.36 14.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -125.18 132.16 53.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -48.4 127.94 13.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.509 HG12 ' CD2' ' A' ' 39' ' ' HIS . 13.3 mt -95.95 -27.39 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 25' ' ' ILE . 23.1 ttmt -34.72 145.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 64.02 40.19 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.63 -116.97 0.42 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.426 ' O ' ' CG2' ' A' ' 25' ' ' ILE . 65.1 mt-30 -149.66 139.88 22.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 110.902 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -122.56 166.91 14.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 43' ' ' PHE . 4.5 tt -130.7 109.62 10.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.9 115.41 6.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.446 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . . . -164.81 123.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' N ' HD13 ' A' ' 34' ' ' LEU . 6.5 mp 62.05 45.08 7.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 50.19 27.5 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -130.27 177.82 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -125.02 116.37 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.543 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -123.37 153.71 39.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.509 ' CD2' HG12 ' A' ' 25' ' ' ILE . 40.8 m170 -67.67 165.14 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.8 t -72.92 -9.85 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 p -126.62 21.66 7.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.1 m -124.21 -30.51 3.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.569 ' CD2' HD23 ' A' ' 31' ' ' LEU . 34.1 t80 -72.85 96.67 2.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -144.98 170.13 16.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.2 t -52.01 167.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.574 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 11.2 tp-100 -107.39 -17.65 14.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.9 m -98.0 -42.58 7.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.5 p -105.6 -20.86 13.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m 64.33 50.15 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.7 p -105.54 136.59 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.28 122.68 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.3 mt -107.5 108.55 19.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.4 p -121.21 -36.76 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.32 -87.42 0.64 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -120.6 141.61 50.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.382 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -153.7 169.23 23.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.533 HG22 ' CE2' ' A' ' 69' ' ' TYR . 4.8 mt -129.1 134.65 63.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.3 p -102.08 131.36 48.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.584 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 11.7 tmtt? -126.56 131.53 51.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 38.48 31.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . 83.38 37.39 12.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.459 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' LYS . 58.7 t -141.71 125.53 9.99 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.599 0.714 . . . . 0.0 111.135 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.9 16.7 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.334 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.6 m-85 -139.04 150.24 45.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.4 p -87.39 167.66 13.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -66.57 -5.79 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.2 t -89.1 -71.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 72' ' ' GLN . 60.7 m-20 -57.9 -59.56 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.533 ' CE2' HG22 ' A' ' 57' ' ' ILE . 7.9 t80 -43.25 -58.72 2.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -56.71 -24.78 51.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.07 -17.66 22.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.491 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 10.6 mt-30 -88.66 -63.28 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.584 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 3.0 m-85 -110.9 -1.35 16.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.04 -38.24 11.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.3 m -119.59 167.73 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.844 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -95.11 148.34 18.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 0.08 6.15 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -109.74 162.81 14.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 96.0 p -142.59 177.2 8.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.507 179.959 . . . . . . . . 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 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -165.92 139.99 4.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 0.0 110.849 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.1 p -173.89 147.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.75 168.58 40.28 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -157.62 140.11 14.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -146.08 130.39 17.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.58 64.19 0.45 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -72.67 115.37 39.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 173.02 11.59 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.721 2.28 . . . . 0.0 112.313 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 pt -113.8 131.1 66.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -85.06 92.8 8.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.3 mt -86.85 -53.19 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -143.87 143.14 31.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.55 113.1 0.6 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -168.29 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.712 2.274 . . . . 0.0 112.319 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.3 m -78.41 142.2 37.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -124.39 150.81 45.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.3 t -58.15 129.07 40.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.88 15.54 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -120.24 -41.64 0.54 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 p -119.98 -3.37 10.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm 61.08 50.36 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -124.3 134.71 53.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -54.52 123.91 14.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.506 HG12 ' CD2' ' A' ' 39' ' ' HIS . 62.5 mt -90.19 80.06 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -119.0 -58.51 1.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -72.69 -45.03 60.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.98 -154.96 8.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -115.67 -176.59 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.4 p -140.33 162.76 34.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 38' ' ' TRP . 5.0 tt -136.98 119.15 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.28 119.13 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.613 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -164.3 129.5 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 34' ' ' LEU . 6.8 mp 54.29 47.34 23.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 49.17 26.56 1.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -127.43 -177.93 4.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -126.84 116.58 21.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.497 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 1.6 m95 -123.24 157.6 32.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.506 ' CD2' HG12 ' A' ' 25' ' ' ILE . 40.2 m170 -74.49 169.05 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.3 t -74.42 -12.01 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.2 p -124.32 18.82 9.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.3 m -121.16 -31.28 4.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.613 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 10.4 t80 -72.97 83.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.22 163.23 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.0 t -44.09 165.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.574 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 11.4 tp-100 -105.04 -13.0 15.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 45.1 m -104.25 -43.47 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.2 p -104.15 -20.23 13.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.6 p 64.83 49.41 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.1 p -106.98 129.79 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 52' ' ' LEU . 48.5 mm -45.08 137.43 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.475 ' N ' HG22 ' A' ' 51' ' ' ILE . 15.5 mt -124.06 108.57 12.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 t -132.87 -42.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.87 -61.7 2.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -140.09 148.74 42.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.352 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -168.3 170.87 9.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.521 HG23 ' CZ ' ' A' ' 69' ' ' TYR . 3.0 mt -138.08 130.1 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 t -95.21 131.44 41.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 4.0 tmtt? -129.86 132.41 46.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.471 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 36.4 t0 44.18 31.51 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.3 31.65 41.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.445 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 21.5 t -136.41 129.51 17.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.616 0.722 . . . . 0.0 111.122 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 128.69 16.38 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.724 2.283 . . . . 0.0 112.32 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.7 m-85 -138.9 156.96 46.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.9 p -97.02 168.49 10.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -65.48 -5.47 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -88.32 -70.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' ALA . 58.5 m-20 -60.26 -56.24 23.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.521 ' CZ ' HG23 ' A' ' 57' ' ' ILE . 17.3 t80 -43.02 -57.6 2.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -65.59 -16.88 64.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.94 -16.55 23.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' ASP . 9.2 mt-30 -96.89 -63.03 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 8.0 m-85 -100.73 -19.59 15.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.3 -47.13 91.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.0 p -42.77 -39.67 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.87 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -147.58 100.78 0.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -179.18 2.74 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' SER . 13.9 t -139.78 117.03 11.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' SER . 1.2 t 37.75 42.9 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.493 179.974 . . . . . . . . 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 -0.325 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -155.46 140.07 16.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 110.868 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 t -161.34 145.88 13.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.62 72.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -119.31 167.3 12.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -152.39 173.15 15.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.38 78.76 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 12.3 mtpp -113.31 103.09 55.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 8' ' ' LYS . 53.9 Cg_endo -69.79 137.63 35.81 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 11' ' ' LYS . 4.2 tp -84.52 143.35 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.461 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -101.68 70.72 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.9 pt -139.1 154.02 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.403 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 2.8 mpt_? -90.6 171.98 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.42 60.16 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HD3' ' C ' ' A' ' 13' ' ' ARG . 53.9 Cg_endo -69.73 -175.7 1.24 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.718 2.279 . . . . 0.0 112.286 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.8 p -82.77 134.31 35.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -125.11 145.0 50.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -58.55 130.36 46.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.443 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.49 21.13 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.48 -42.6 0.26 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.9 p -120.02 -0.09 10.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.903 0.382 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt 58.53 52.01 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -123.72 132.19 53.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -50.79 125.52 13.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.9 mt -95.93 77.56 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.527 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 35.4 ttmt -102.9 70.21 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 5.8 m80 -174.28 160.32 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.5 43.41 2.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -134.04 42.13 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.318 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 99.7 p -92.6 160.05 15.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.565 HD22 ' CD2' ' A' ' 43' ' ' PHE . 4.3 tt -128.97 104.53 7.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.8 124.07 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.414 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -166.06 128.21 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.064 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp 58.97 42.82 18.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 54.04 27.58 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -131.34 177.34 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -124.32 116.47 22.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.548 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -123.5 159.53 28.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -78.66 169.04 18.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.7 t -71.6 -20.37 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 p -116.17 21.1 13.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.6 m -123.21 -35.02 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.565 ' CD2' HD22 ' A' ' 31' ' ' LEU . 15.9 t80 -71.45 95.86 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -144.87 167.88 21.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.0 t -50.47 166.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.579 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.2 tp-100 -106.9 -15.85 14.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.1 m -99.09 -43.44 6.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.9 p -105.66 -20.11 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 m 63.96 54.8 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.4 p -110.95 133.05 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.3 mm -47.29 128.35 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.6 mt -112.84 99.2 7.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.3 p -117.9 -43.61 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.31 -74.35 0.99 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -124.5 154.23 40.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.381 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -169.84 157.03 6.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.53 HD12 ' CG ' ' A' ' 69' ' ' TYR . 7.3 mt -126.67 134.69 65.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.4 p -100.67 130.07 46.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.569 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 3.2 tmtt? -130.49 132.15 45.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.952 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.482 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 37.7 t70 40.59 39.83 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.04 37.57 60.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.523 HG11 ' CZ ' ' A' ' 64' ' ' TYR . 21.3 t -142.95 122.46 7.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 130.25 19.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.23 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.579 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 64.6 m-85 -137.19 161.13 37.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 32.0 p -96.82 165.19 12.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.6 -5.78 4.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -88.97 -71.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 71' ' ' ALA . 57.7 m-20 -59.03 -58.17 9.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.53 ' CG ' HD12 ' A' ' 57' ' ' ILE . 15.2 t80 -43.51 -55.88 3.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -57.34 -23.78 51.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.77 -21.95 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.478 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 7.2 mt-30 -87.74 -61.48 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 5.8 m-85 -114.65 21.79 14.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -115.53 -37.41 1.09 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 76' ' ' GLY . 74.6 m -38.56 -46.48 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.388 . . . . 0.0 110.869 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 75' ' ' SER . . . 34.44 -124.24 0.49 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 98.11 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.702 2.268 . . . . 0.0 112.375 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -51.8 155.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 85.0 p -126.88 84.54 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.477 -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 -0.346 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -108.25 145.21 34.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -168.21 149.14 4.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.0 111.22 0.24 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -152.39 115.04 4.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.373 . . . . 0.0 110.884 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.6 p -126.38 177.21 6.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.16 73.38 0.93 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -97.53 151.27 37.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 121.22 7.92 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.71 2.273 . . . . 0.0 112.345 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.9 pt -59.13 -179.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.86 86.09 6.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.3 mt -87.21 91.86 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -54.55 -56.03 23.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.53 124.32 5.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.557 ' O ' ' CE1' ' A' ' 17' ' ' HIS . 53.3 Cg_endo -69.82 -167.9 0.25 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.287 . . . . 0.0 112.317 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 p -78.39 127.55 32.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.557 ' CE1' ' O ' ' A' ' 15' ' ' PRO . 10.6 m80 -125.71 140.92 52.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.3 t -53.24 133.17 39.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.443 ' HB1' ' CD2' ' A' ' 38' ' ' TRP . . . -82.14 18.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.37 -41.32 0.36 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -122.47 1.78 9.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp 55.6 49.23 16.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -120.77 136.17 54.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -51.65 123.55 10.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.7 mt -92.43 139.84 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -83.74 169.43 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -90.51 103.81 16.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.64 -47.14 0.91 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -108.24 83.69 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.917 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.8 p -146.23 164.55 31.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tt -127.57 112.74 15.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' N ' HD21 ' A' ' 32' ' ' LEU . 4.0 mm? -77.02 125.89 30.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.459 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -163.64 134.81 4.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.3 mp 51.36 43.83 29.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 54.17 26.42 6.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -127.79 -179.3 4.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -125.68 116.02 21.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.499 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 1.2 m95 -123.52 150.26 44.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -68.44 171.43 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.8 t -75.5 -14.77 15.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.5 p -120.49 17.36 12.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.7 m -118.38 -39.05 3.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.459 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 9.5 t80 -65.02 86.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.09 164.14 28.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.0 t -49.53 167.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.1 tp-100 -108.09 -15.0 14.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.439 ' CG2' ' CG ' ' A' ' 68' ' ' ASP . 3.4 m -99.21 -41.77 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.6 p -109.29 -20.33 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 p 67.48 46.36 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.4 p -105.19 128.95 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.469 HG21 ' N ' ' A' ' 52' ' ' LEU . 27.3 mm -43.82 137.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.469 ' N ' HG21 ' A' ' 51' ' ' ILE . 19.0 mt -123.67 107.21 11.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 t -132.74 -39.06 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.04 -62.72 2.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -140.2 143.82 36.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -168.45 159.56 10.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.516 HG23 ' CZ ' ' A' ' 69' ' ' TYR . 2.0 mt -126.09 135.96 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.121 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.6 t -98.03 134.08 41.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.568 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 3.6 tmtt? -130.31 135.55 48.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' LYS . 16.3 t70 38.52 32.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.14 37.93 23.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 59' ' ' LYS . 37.7 t -142.96 127.79 9.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.622 0.725 . . . . 0.0 111.109 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 130.42 19.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.1 m-85 -140.98 149.8 42.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 67' ' ' SER . 25.8 p -84.71 170.16 13.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -68.62 -6.58 26.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.415 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . 38.8 m -90.48 -70.71 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.439 ' CG ' ' CG2' ' A' ' 47' ' ' THR . 75.4 m-20 -55.92 -59.12 5.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.516 ' CZ ' HG23 ' A' ' 57' ' ' ILE . 15.5 t80 -43.79 -55.66 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' SER . 12.0 m-70 -58.87 -22.79 59.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.77 -21.79 19.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.473 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 13.0 mt-30 -88.35 -59.93 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 6.4 m-85 -116.18 21.14 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -117.34 -38.96 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 70' ' ' HIS . 13.0 t -117.31 -52.63 2.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -39.66 155.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 90.13 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.238 . . . . 0.0 112.374 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -115.23 88.49 2.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.7 m -94.83 149.05 21.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.492 -179.982 . . . . . . . . 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 -0.341 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -151.45 156.44 40.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 110.835 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 p -131.54 148.86 52.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.74 -146.19 7.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.2 p -115.28 155.18 27.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 110.873 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -165.05 138.15 4.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.95 129.12 9.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -133.08 115.14 14.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.552 0.692 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 141.14 44.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -83.13 166.2 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -95.51 89.42 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.3 mm -59.61 -45.58 94.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -158.2 126.97 5.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.44 75.18 0.42 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 162.81 40.65 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.2 t -63.25 140.86 58.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -111.18 146.56 36.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.42 131.34 45.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.431 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.72 18.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.05 -41.11 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.38 -1.61 10.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? 57.15 52.95 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -128.83 132.47 47.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -46.24 126.24 7.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.574 HG12 ' CD2' ' A' ' 39' ' ' HIS . 42.5 mt -92.95 88.89 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -127.95 -60.23 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.551 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 6.1 p80 -70.46 81.7 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.25 -111.94 0.96 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -171.76 173.17 4.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.424 ' HB2' ' CG2' ' A' ' 25' ' ' ILE . 43.6 t -123.19 -176.16 3.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 38' ' ' TRP . 3.0 tt -135.18 117.08 15.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.78 114.25 6.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -161.42 127.28 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 61' ' ' GLY . 7.0 mp 61.5 41.24 12.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.3 t0 52.79 26.18 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -127.97 176.27 7.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -121.18 116.1 24.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.505 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 1.1 m95 -123.48 152.73 41.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.574 ' CD2' HG12 ' A' ' 25' ' ' ILE . 38.2 m170 -69.18 162.95 26.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.0 t -70.67 -10.32 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 p -125.79 21.29 7.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.5 m -124.65 -31.14 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.407 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 39.3 t80 -71.97 99.91 2.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -147.86 170.22 18.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.8 t -51.4 167.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.571 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.8 tp-100 -108.69 -18.0 13.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.2 m -97.85 -37.69 9.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.2 p -111.37 -20.91 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m 64.53 55.0 1.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -110.71 136.06 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.4 mm -54.8 123.49 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.0 mt -110.25 104.68 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 74.4 p -118.21 -40.63 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.186 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.51 -83.96 0.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -116.34 148.32 40.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.928 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -165.93 158.04 14.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.509 HG22 ' CZ ' ' A' ' 69' ' ' TYR . 3.7 mt -125.23 136.09 61.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.9 p -102.4 134.39 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 5.7 tmtm? -129.67 137.82 50.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.464 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 19.6 t0 39.92 26.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . 84.41 36.85 11.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.491 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 22.9 t -141.43 130.64 12.56 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 111.093 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 129.4 17.58 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.65 2.233 . . . . 0.0 112.403 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 63.2 m-85 -139.56 152.93 47.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.7 p -88.8 170.6 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -68.54 -7.58 33.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.0 m -90.48 -71.41 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -55.61 -55.66 29.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.509 ' CZ ' HG22 ' A' ' 57' ' ' ILE . 10.2 t80 -47.32 -53.72 12.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -60.91 -21.75 63.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.98 -20.33 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.504 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 5.3 mt-30 -89.8 -60.06 2.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.6 m-85 -116.58 21.25 13.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -115.02 -36.03 1.28 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.3 p -65.81 -28.61 69.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.929 0.395 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.39 -151.75 16.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -178.17 2.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.26 . . . . 0.0 112.36 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.3 p -146.21 170.46 16.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.8 m -130.16 41.13 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.497 179.996 . . . . . . . . 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 -0.337 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m -144.37 117.22 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 110.894 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -120.75 157.11 30.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.1 -146.2 18.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.465 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.0 m 44.59 42.22 5.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.893 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -116.22 133.86 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.67 94.16 1.75 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -141.47 124.91 9.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 124.08 10.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.23 . . . . 0.0 112.365 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.0 pt -111.91 160.79 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -83.85 105.06 14.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.1 mp -83.79 84.96 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.8 ttm-85 -144.83 146.63 32.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.75 108.64 0.98 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 89.18 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.1 m -115.0 42.06 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.813 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -69.56 143.76 53.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -52.3 128.56 25.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.45 17.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.29 -39.67 0.5 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -122.16 -3.78 9.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? 61.59 53.31 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -126.95 132.9 50.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -54.54 123.77 14.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.573 HG12 ' CD2' ' A' ' 39' ' ' HIS . 29.9 mt -91.49 86.65 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -130.62 -50.01 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -85.71 56.75 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.98 -125.45 1.27 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.42 166.53 31.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.4 p -126.34 -179.51 4.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 38' ' ' TRP . 4.5 tt -139.11 118.4 12.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.78 121.31 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.532 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -167.02 137.98 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.053 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mp 49.96 40.26 20.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.1 t0 54.91 26.6 8.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -129.01 176.09 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -120.43 115.91 24.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.516 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -123.65 153.62 40.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' CD2' HG12 ' A' ' 25' ' ' ILE . 38.7 m170 -68.65 168.9 12.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.9 t -74.58 -11.63 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.1 m -124.9 18.53 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.9 m -120.09 -32.08 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.532 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 10.7 t80 -71.99 81.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 161.75 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.3 t -44.21 167.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.585 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 8.1 tp-100 -106.53 -14.6 15.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.8 m -103.88 -38.39 7.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.6 p -110.01 -18.35 13.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.4 p 61.43 48.65 5.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 50' ' ' VAL . 5.5 p -105.62 121.19 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 52' ' ' LEU . 38.2 mm -38.94 136.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.442 ' N ' HG22 ' A' ' 51' ' ' ILE . 19.0 mt -123.27 106.68 10.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.27 -39.86 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.52 -78.88 0.91 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.49 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -120.96 151.66 39.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -172.61 163.94 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.576 HG22 ' CE2' ' A' ' 69' ' ' TYR . 2.8 mt -129.77 136.75 58.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 96.4 p -101.29 133.05 46.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 1.5 tmtt? -130.46 133.27 46.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.474 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 38.3 t70 39.57 37.63 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.44 38.08 45.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.43 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 26.1 t -142.71 125.84 9.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.719 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 128.28 15.85 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.4 m-85 -137.86 153.34 49.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 31.5 p -92.58 165.56 12.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -63.65 -6.04 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -88.57 -71.07 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' GLN . 81.7 m-20 -59.16 -56.89 16.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.576 ' CE2' HG22 ' A' ' 57' ' ' ILE . 28.2 t80 -42.85 -58.85 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -62.06 -18.87 62.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.95 -18.67 21.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' ASP . 12.3 mt-30 -94.51 -64.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.566 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 7.7 m-85 -97.93 -21.42 16.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.28 -47.46 90.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.449 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 77.5 p -91.26 75.54 6.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -97.61 -161.92 31.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 81.73 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.713 2.275 . . . . 0.0 112.329 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.5 t -68.86 -54.49 15.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.7 p -100.16 137.15 39.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.504 -179.97 . . . . . . . . 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 -0.324 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -152.1 178.39 9.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 p -172.03 150.66 2.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.88 -161.23 23.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -130.26 170.31 14.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -171.54 172.24 5.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.46 112.3 0.39 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -139.12 143.77 38.1 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.531 0.681 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 97.16 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.455 ' CG2' HG13 ' A' ' 12' ' ' ILE . 5.6 tt -38.65 -32.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.8 ttmt 70.77 53.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.455 HG13 ' CG2' ' A' ' 10' ' ' ILE . 81.6 mt -76.24 -59.67 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -69.73 176.14 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.92 61.18 1.05 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.596 ' O ' ' CD2' ' A' ' 17' ' ' HIS . 54.0 Cg_endo -69.74 175.17 8.44 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.669 2.246 . . . . 0.0 112.298 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.5 m -50.34 122.77 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 15' ' ' PRO . 5.3 m80 -107.15 153.25 22.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.5 t -60.04 148.26 36.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.563 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . . . -94.98 8.21 43.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -117.28 -49.13 0.41 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.477 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -108.15 -8.69 15.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 61.96 45.39 7.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -123.87 129.9 51.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -37.42 130.31 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.553 HG12 ' CD2' ' A' ' 39' ' ' HIS . 57.1 mt -98.67 -2.81 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -78.71 45.0 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -133.83 -40.39 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.84 -94.05 1.26 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.52 165.02 26.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.811 0.339 . . . . 0.0 110.914 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 p -130.86 157.39 43.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -132.14 114.76 14.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 32' ' ' LEU . 4.5 mm? -72.73 123.63 23.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.462 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . . . -166.27 123.63 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' A' ' 35' ' ' ASP . 6.1 mp 61.21 48.67 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 2.7 p30 48.17 25.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -129.37 174.02 10.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -119.08 116.45 26.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 19' ' ' ALA . 1.3 m95 -123.07 153.8 39.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.553 ' CD2' HG12 ' A' ' 25' ' ' ILE . 31.5 m170 -69.72 175.58 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.8 t -77.8 -13.23 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -125.28 18.56 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.0 m -118.21 -29.24 5.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 33' ' ' ALA . 24.9 t80 -75.37 79.11 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 167.88 17.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.1 t -47.43 167.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.56 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.6 tp-100 -107.85 -14.8 14.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 97.1 m -101.56 -37.86 8.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.9 p -110.98 -20.28 12.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 m 64.18 52.37 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.808 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.5 p -106.98 137.03 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.1 mm -54.49 128.99 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.6 mt -117.22 108.57 15.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.2 p -122.23 -32.14 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.72 -90.32 1.33 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -108.49 146.33 33.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.824 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -165.24 156.6 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.527 HG22 ' CE2' ' A' ' 69' ' ' TYR . 3.5 mt -120.78 135.15 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.3 p -108.1 132.46 53.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.582 ' HE2' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -129.94 131.54 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.512 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 28.9 t70 45.36 33.65 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.55 27.84 56.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.467 HG13 ' CZ ' ' A' ' 64' ' ' TYR . 22.6 t -129.4 122.92 21.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 111.137 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 130.82 20.04 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 61.3 m-85 -140.09 155.1 47.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.1 p -91.27 175.87 6.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -74.33 -7.1 51.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.7 m -90.86 -71.61 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.465 ' HB3' ' NE2' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -55.12 -57.7 10.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.527 ' CE2' HG22 ' A' ' 57' ' ' ILE . 12.0 t80 -44.52 -56.85 3.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -62.04 -19.06 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.72 -18.57 21.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.465 ' NE2' ' HB3' ' A' ' 68' ' ' ASP . 2.0 mt-30 -99.11 -62.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.582 ' CE2' ' HE2' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -96.72 -20.83 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.84 -45.77 93.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.6 m 63.57 41.85 6.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 110.884 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -123.95 112.54 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 178.78 4.23 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.371 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.5 t -145.56 150.78 37.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 75.6 p 40.34 41.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.494 -179.966 . . . . . . . . 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 1.451 -0.342 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -161.75 129.34 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.368 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -169.28 143.11 2.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.21 176.21 23.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 t -165.77 154.04 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -109.16 170.56 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.71 148.29 4.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.1 pttt -170.66 153.25 4.09 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.566 0.698 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 166.01 29.05 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.483 ' C ' ' CD1' ' A' ' 10' ' ' ILE . 1.2 pp -84.63 162.65 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -119.07 53.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 pp -128.82 17.46 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -158.04 123.35 4.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 134.62 76.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.411 ' O ' ' CE1' ' A' ' 17' ' ' HIS . 53.7 Cg_endo -69.76 -170.28 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.395 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.2 m -48.43 123.08 6.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.411 ' CE1' ' O ' ' A' ' 15' ' ' PRO . 16.4 m80 -111.03 157.68 19.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.4 t -64.57 131.52 47.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.585 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -83.34 22.61 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.06 -40.6 0.28 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.3 p -121.43 -3.59 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt 62.38 42.96 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -115.44 138.06 51.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -51.16 125.69 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 64.9 mt -96.84 128.96 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -79.75 164.11 23.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -80.9 109.75 15.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 133.84 -44.16 1.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -107.99 84.65 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.4 p -149.83 151.39 33.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tt -122.6 108.74 13.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.11 132.79 44.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.442 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -169.27 138.28 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp 49.52 45.35 24.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 52.0 28.23 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -129.13 178.89 6.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -125.06 115.69 20.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.585 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -124.04 159.46 29.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -75.48 167.03 22.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.5 t -72.35 -10.62 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.2 p -126.88 21.67 6.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.0 m -123.65 -31.63 3.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.442 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 17.9 t80 -72.88 81.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.0 166.76 20.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.4 t -45.73 167.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.525 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.8 tp-100 -108.04 -17.84 13.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.427 HG21 ' CG ' ' A' ' 68' ' ' ASP . 50.0 m -96.43 -40.28 9.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.6 p -108.8 -24.33 11.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 t 70.88 53.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.0 p -111.22 137.15 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.0 mm -48.81 137.64 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.4 mt -125.71 106.97 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 t -131.95 -39.54 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.35 -69.07 1.42 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -131.41 135.22 46.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.875 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -158.61 157.03 31.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.524 HG23 ' CZ ' ' A' ' 69' ' ' TYR . 4.2 mt -124.14 133.51 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.5 p -96.38 132.31 42.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -131.12 131.88 44.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.474 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 39.3 t0 39.56 37.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.47 36.7 43.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.545 HG13 ' CZ ' ' A' ' 64' ' ' TYR . 21.7 t -142.92 123.5 8.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.661 0.744 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 126.98 13.96 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.709 2.272 . . . . 0.0 112.346 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.545 ' CZ ' HG13 ' A' ' 62' ' ' VAL . 63.6 m-85 -132.27 159.68 38.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.9 p -95.04 165.09 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -64.93 -5.5 6.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.1 t -89.69 -71.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.427 ' CG ' HG21 ' A' ' 47' ' ' THR . 75.0 m-20 -57.79 -58.49 8.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.524 ' CZ ' HG23 ' A' ' 57' ' ' ILE . 14.7 t80 -43.99 -56.85 3.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -55.8 -23.08 28.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.59 -22.37 18.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.519 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 6.0 mt-30 -85.68 -62.45 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.519 ' CD1' ' HB3' ' A' ' 72' ' ' GLN . 3.7 m-85 -115.03 20.93 14.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -114.31 -35.34 1.47 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.0 t -142.76 125.02 15.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.948 0.404 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.95 97.8 0.11 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.446 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.39 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.303 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 t -102.28 150.22 23.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.2 m -161.79 177.26 10.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.817 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.508 -179.982 . . . . . . . . 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 1.451 -0.362 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -170.74 116.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -146.53 166.03 27.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.19 152.64 12.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -171.37 129.79 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 p -158.01 162.57 38.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.5 137.08 2.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.85 113.77 4.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.553 0.692 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 173.66 10.67 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.318 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.495 ' CG1' HG12 ' A' ' 12' ' ' ILE . 10.7 tp -105.54 150.57 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' CD ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -120.76 50.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.866 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.495 HG12 ' CG1' ' A' ' 10' ' ' ILE . 10.7 pt -101.5 153.15 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -171.23 105.92 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.478 ' O ' ' CD2' ' A' ' 17' ' ' HIS . . . -153.51 83.73 0.16 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -165.9 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 0.0 112.322 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 p 45.79 53.68 8.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.478 ' CD2' ' O ' ' A' ' 14' ' ' GLY . 5.7 m80 -70.7 135.35 48.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.2 t -41.38 156.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.64 -7.11 24.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.79 -42.69 1.52 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.463 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -109.14 -10.66 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt 59.56 50.05 7.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -128.33 132.02 48.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -40.48 129.82 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.424 HG12 ' NE2' ' A' ' 39' ' ' HIS . 60.7 mt -97.97 135.81 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -66.91 100.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.816 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -38.47 107.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.1 -36.9 1.83 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.448 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -121.03 66.78 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.01 148.03 43.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.46 HD13 ' CB ' ' A' ' 43' ' ' PHE . 5.2 tt -103.67 105.36 15.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.67 126.54 30.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -170.7 128.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.063 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp 60.21 42.06 15.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.5 t0 54.84 25.57 6.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -131.19 174.7 9.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -122.09 117.69 26.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.598 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.5 OUTLIER -123.14 147.29 46.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.424 ' NE2' HG12 ' A' ' 25' ' ' ILE . 30.0 m170 -66.08 172.66 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.83 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t -76.42 -10.94 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.4 p -123.17 16.95 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.5 m -118.15 -36.48 3.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.46 ' CB ' HD13 ' A' ' 31' ' ' LEU . 15.9 t80 -69.79 105.93 2.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -153.57 168.38 26.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.5 t -50.45 167.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.582 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.9 tp-100 -107.3 -19.51 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.1 m -96.85 -42.29 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.04 -21.58 13.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m 63.43 54.94 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.0 p -109.16 136.3 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.7 mm -54.32 120.86 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 mt -105.68 103.33 12.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 69.4 p -115.91 -39.59 3.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.84 -84.51 0.77 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -114.67 157.45 23.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -169.19 158.84 8.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.539 HG21 ' CE2' ' A' ' 69' ' ' TYR . 3.2 mt -128.52 128.01 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.182 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.9 p -96.56 131.12 43.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 62' ' ' VAL . 7.7 tmtm? -131.02 132.79 45.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER 42.8 37.47 1.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.61 29.53 61.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.539 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 4.0 t -134.91 121.21 14.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.569 0.7 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 125.96 12.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 66.7 m-85 -132.91 159.53 39.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 30.3 p -94.4 172.87 7.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -69.94 -5.86 29.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.6 t -90.02 -71.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' ALA . 80.4 m-20 -57.94 -55.99 27.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.539 ' CE2' HG21 ' A' ' 57' ' ' ILE . 6.9 t80 -44.51 -53.97 6.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -68.12 -16.53 64.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -94.02 -16.86 23.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -98.12 -64.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.424 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.8 m-85 -105.23 20.87 18.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -108.03 -33.75 2.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.543 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.3 t -117.25 153.25 33.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.31 -68.9 1.44 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.534 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 178.66 4.35 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.332 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t -151.8 178.74 9.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.4 p -161.28 122.55 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.488 179.99 . . . . . . . . 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' ' ' HIS . . . . . . . . . . . . . 9.9 m80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.834 0.349 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.3 t -53.35 128.51 28.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.65 16.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.43 -37.4 0.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -123.93 -5.23 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.3 mptt 62.96 49.2 3.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 38' ' ' TRP . 3.7 tt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.883 0.373 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.433 ' N ' HD23 ' A' ' 31' ' ' LEU . 4.4 mm? -71.31 121.57 18.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -169.45 123.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mp 61.55 44.47 9.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 51.34 26.09 2.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -129.16 175.99 8.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -123.07 116.24 23.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.527 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -123.36 153.84 39.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -69.6 170.05 11.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.4 ' O ' HG12 ' A' ' 40' ' ' VAL . 33.4 t -76.05 -12.67 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.8 p -122.98 17.33 10.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.1 m -118.74 -33.55 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.524 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 9.2 t80 -71.62 106.22 3.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -153.48 165.85 34.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.7 t -48.76 167.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.581 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.0 tp-100 -106.61 -15.73 14.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.7 m -101.42 -40.89 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.469 ' SG ' HG12 ' A' ' 50' ' ' VAL . 23.7 p -107.26 -19.56 13.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.2 p 62.48 52.94 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.469 HG12 ' SG ' ' A' ' 48' ' ' CYS . 10.0 p -109.81 129.62 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.1 mm -48.55 126.93 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.0 mt -109.75 110.38 21.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.8 p -126.25 -43.15 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -74.91 -72.45 1.04 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -134.68 152.08 51.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.844 0.354 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -166.57 161.42 15.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.488 ' HB ' ' CD2' ' A' ' 69' ' ' TYR . 2.2 mt -127.23 130.58 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.3 p -98.0 133.21 42.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.571 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 2.4 tmtt? -130.47 137.84 49.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.463 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 36.6 t70 41.12 29.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.95 35.83 23.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.451 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 12.7 t -140.18 127.34 12.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 0.0 111.16 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.2 15.69 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.627 2.218 . . . . 0.0 112.363 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.5 m-85 -137.33 155.35 49.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 31.1 p -93.97 165.74 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -64.2 -5.92 5.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 t -87.96 -70.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' GLN . 68.8 m-20 -59.88 -57.61 12.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.488 ' CD2' ' HB ' ' A' ' 57' ' ' ILE . 11.3 t80 -42.39 -57.23 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -61.56 -21.31 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.62 -18.5 22.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' ASP . 15.9 mt-30 -88.18 -61.75 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 14.9 m-85 -107.81 -14.76 14.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.4 m80 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.5 t -53.11 129.97 32.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.4 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.96 17.49 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.09 -38.47 0.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 p -124.43 -2.38 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.377 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 60.27 53.06 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.928 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.52 126.81 31.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.618 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -168.73 124.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.55 HD23 ' HA2' ' A' ' 61' ' ' GLY . 6.6 mp 57.34 49.89 12.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 49.26 25.61 1.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -127.42 -179.61 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -127.31 116.15 20.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.489 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -123.77 143.99 49.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -64.59 171.48 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.48 ' O ' HG12 ' A' ' 40' ' ' VAL . 88.7 t -75.72 -11.85 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 p -124.07 18.09 9.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.6 m -119.78 -34.57 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.618 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 5.5 t80 -69.89 97.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.26 164.66 30.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.6 t -49.55 166.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.546 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.9 tp-100 -107.34 -18.11 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.1 m -96.14 -42.93 7.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.5 p -105.51 -24.4 12.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t 70.72 49.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.8 p -107.27 134.99 47.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.6 mm -51.66 128.95 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.4 mt -114.72 101.31 8.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.7 p -122.26 -34.44 3.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -84.16 -83.46 0.96 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -122.26 139.26 54.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -159.85 167.91 27.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.67 136.54 56.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.1 p -100.86 132.67 46.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.529 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 6.3 tmtm? -128.42 133.44 48.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.416 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 6.5 t70 44.11 26.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.55 ' HA2' HD23 ' A' ' 34' ' ' LEU . . . 84.89 34.61 14.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.425 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 28.3 t -139.85 131.36 14.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 111.175 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 130.45 19.36 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.546 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 57.6 m-85 -141.46 147.17 37.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.81 164.5 17.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -62.45 -6.79 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -87.63 -70.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -58.72 -57.46 12.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -44.43 -53.69 6.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -61.18 -22.0 64.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.73 -18.55 21.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.495 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 18.0 mt-30 -90.61 -58.7 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.529 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.2 m-85 -117.85 20.23 13.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.443 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.0 m170 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.831 0.348 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.6 t -48.53 137.61 11.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.714 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -81.88 16.12 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.067 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.02 -49.48 0.19 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -110.79 -2.76 16.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 59.45 41.84 18.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 38' ' ' TRP . 2.5 tt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.842 0.353 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.405 ' HA ' HD13 ' A' ' 32' ' ' LEU . 4.0 mm? -80.53 132.94 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.592 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -172.09 133.69 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.608 HD23 ' HA2' ' A' ' 61' ' ' GLY . 6.8 mp 54.48 38.97 30.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.67 25.49 13.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm -126.85 178.4 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -123.12 116.35 23.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.714 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 1.3 m95 -123.17 146.06 48.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -68.91 171.3 8.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 40' ' ' VAL . 89.1 t -74.03 -15.31 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.1 p -120.83 19.59 11.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.8 m -122.1 -33.19 3.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.592 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 10.7 t80 -71.84 100.15 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -149.97 170.37 19.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.0 t -52.9 167.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.588 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.9 tp-100 -107.77 -15.45 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.7 m -99.29 -42.59 6.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.451 ' SG ' HG12 ' A' ' 50' ' ' VAL . 27.8 p -107.36 -19.29 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 m 63.95 49.37 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.451 HG12 ' SG ' ' A' ' 48' ' ' CYS . 7.3 p -103.68 135.34 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.9 mm -55.78 127.11 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.3 mt -115.16 102.22 9.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.6 p -109.75 -42.13 4.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.59 -84.74 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.06 167.64 17.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -173.26 174.91 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.483 HG21 ' CZ ' ' A' ' 69' ' ' TYR . 3.6 mt -125.71 132.2 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.6 p -99.73 129.0 45.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.419 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 7.7 tmtt? -129.63 133.0 46.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.6 t0 41.99 34.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.608 ' HA2' HD23 ' A' ' 34' ' ' LEU . . . 75.66 36.87 41.67 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.475 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.444 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 21.5 t -143.31 126.92 9.22 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.66 0.743 . . . . 0.0 111.11 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.55 19.53 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.667 2.244 . . . . 0.0 112.418 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 64.4 m-85 -138.69 147.44 42.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 67' ' ' SER . 26.0 p -82.5 170.92 14.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -69.89 -6.28 31.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.424 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . 5.5 m -90.22 -71.19 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 72' ' ' GLN . 69.4 m-20 -56.33 -58.37 8.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.483 ' CZ ' HG21 ' A' ' 57' ' ' ILE . 12.7 t80 -43.99 -55.73 4.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -60.34 -21.19 61.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.91 -22.02 18.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.445 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.3 mt-30 -87.98 -60.99 1.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 72' ' ' GLN . 4.1 m-85 -113.82 20.84 15.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 m80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.861 0.362 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.2 t -63.57 131.83 49.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.533 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.96 19.97 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.72 -37.51 0.44 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p -127.12 3.8 6.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt 53.08 53.01 12.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.917 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.893 0.377 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 32' ' ' LEU . 4.4 mm? -74.74 121.51 21.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.514 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -165.74 134.29 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.609 HD23 ' HA2' ' A' ' 61' ' ' GLY . 6.5 mp 53.85 43.52 30.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 t0 52.21 25.97 3.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -128.9 179.66 5.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -125.67 116.3 21.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.546 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -123.32 157.4 33.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -73.81 169.37 17.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -72.56 -19.27 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.1 p -116.81 19.71 14.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.8 m -122.02 -34.28 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.514 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 23.2 t80 -71.17 99.33 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -150.25 172.4 15.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.1 t -54.47 166.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.6 tp-100 -108.15 -16.83 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 m -98.89 -39.43 8.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.489 ' SG ' HG12 ' A' ' 50' ' ' VAL . 23.8 p -109.28 -20.76 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 m 63.79 54.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.489 HG12 ' SG ' ' A' ' 48' ' ' CYS . 8.1 p -111.01 134.79 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.5 mm -54.17 124.2 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.1 mt -110.84 111.49 22.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.4 p -126.38 -41.76 1.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.93 -78.92 0.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -119.77 146.6 45.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -166.4 166.43 16.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 mt -132.21 136.88 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.8 p -105.77 128.44 53.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.492 ' HD2' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -126.78 135.83 51.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.6 t70 41.82 28.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.609 ' HA2' HD23 ' A' ' 34' ' ' LEU . . . 82.53 35.07 20.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' LYS . 33.3 t -140.17 129.3 13.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.578 0.704 . . . . 0.0 111.145 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 132.1 22.59 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.4 m-85 -143.38 144.47 32.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.3 p -84.6 165.46 17.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -63.1 -6.74 4.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.6 t -88.24 -70.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' GLN . 81.0 m-20 -58.39 -58.59 7.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -43.12 -57.02 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -58.06 -24.36 58.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -94.0 -18.0 22.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 68' ' ' ASP . 5.8 mt-30 -95.75 -62.04 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.492 ' CE2' ' HD2' ' A' ' 59' ' ' LYS . 2.0 m-85 -110.94 21.39 16.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.9 m80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.9 t -52.05 132.12 32.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.601 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -83.2 23.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.93 -43.4 0.18 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.9 p -117.63 -2.29 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.937 0.398 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 60.34 44.69 12.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.939 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.7 130.01 39.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.966 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -173.27 130.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 34' ' ' LEU . 7.1 mp 57.66 43.56 22.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 51.9 28.05 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -129.51 175.65 8.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -125.23 116.2 21.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.601 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -123.61 160.87 26.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -78.38 171.53 14.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.89 -18.2 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.7 p -119.61 20.8 12.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.6 m -122.62 -30.67 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -74.38 88.48 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.79 166.41 24.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.1 t -47.72 166.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.8 tp-100 -108.52 -16.23 14.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.5 m -99.89 -37.15 9.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.485 ' SG ' HG12 ' A' ' 50' ' ' VAL . 22.3 p -112.93 -20.61 11.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.1 t 64.34 54.92 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.485 HG12 ' SG ' ' A' ' 48' ' ' CYS . 8.9 p -113.09 125.7 70.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.497 HG22 HG23 ' A' ' 53' ' ' THR . 50.1 mm -41.5 131.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.0 mt -116.42 99.36 7.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.497 HG23 HG22 ' A' ' 51' ' ' ILE . 81.2 p -113.72 -43.57 3.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.14 -89.13 0.38 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.53 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.5 mp0 -110.88 145.27 38.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.37 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -162.76 155.49 19.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.6 mt -123.81 138.74 52.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.6 p -104.15 132.23 50.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.558 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 4.7 tmtt? -126.92 133.36 50.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t0 41.72 26.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . 85.78 38.31 8.82 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.451 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.402 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 43.2 t -143.5 130.96 10.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.731 . . . . 0.0 111.103 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 130.39 19.23 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.226 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.3 m-85 -141.03 150.15 42.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.0 p -89.07 164.53 15.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -63.17 -6.43 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.3 t -88.27 -70.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' GLN . 82.4 m-20 -58.35 -58.69 7.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -42.96 -58.35 2.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -57.78 -21.96 44.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.76 -21.06 19.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.466 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.2 mt-30 -90.74 -59.79 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 6.9 m-85 -115.23 21.57 14.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.9 m80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.9 t -61.45 131.08 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.519 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -84.25 20.56 1.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.73 -36.06 0.46 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 p -123.3 -4.55 8.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.957 0.408 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mptt 61.03 50.47 5.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.911 0.386 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -74.97 130.05 38.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -171.89 137.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp 52.3 41.4 30.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.1 t70 54.22 27.03 7.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -130.39 176.37 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -122.64 116.2 23.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.556 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -123.42 158.49 31.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -78.39 167.35 21.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 t -70.34 -20.02 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 p -115.37 18.96 15.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.3 m -122.54 -32.62 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -72.73 99.17 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -148.93 171.28 16.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.5 t -52.43 166.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.577 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.5 tp-100 -107.56 -15.36 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.1 m -100.48 -40.44 7.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.6 p -108.19 -20.18 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 m 63.61 53.86 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -109.62 137.6 41.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.1 mm -55.27 128.33 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 mt -115.0 107.6 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.3 p -124.34 -36.64 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.47 -73.28 1.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -130.71 150.19 52.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -163.76 164.31 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.2 mt -132.24 131.95 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.8 p -100.1 133.03 45.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.478 ' HD3' ' N ' ' A' ' 60' ' ' ASP . 1.8 tmtt? -129.44 132.26 46.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.478 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 27.5 t70 43.94 33.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.4 37.13 32.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.481 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 20.7 t -141.74 128.29 11.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 111.161 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 131.21 20.75 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 57.6 m-85 -142.72 152.2 42.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 30.4 p -90.74 172.47 8.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -69.61 -5.86 27.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -89.05 -70.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' ALA . 73.0 m-20 -59.16 -57.3 13.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -42.56 -57.79 2.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -61.21 -20.95 63.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.76 -16.62 24.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' ASP . 9.4 mt-30 -96.64 -63.68 1.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 2.2 m-85 -109.78 19.89 18.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.3 m80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.857 0.361 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.1 t -54.01 130.06 36.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -81.98 17.46 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.47 -40.15 0.51 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.8 p -122.88 -2.3 8.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm 60.86 51.26 4.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.919 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 tt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.858 0.361 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.1 113.44 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -153.19 138.25 17.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 mp 50.29 43.92 26.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.4 t0 54.33 25.72 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -129.58 -177.96 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -125.34 116.54 22.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.501 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.8 m95 -121.93 155.45 35.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -75.93 164.81 25.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 40' ' ' VAL . 84.2 t -70.55 -11.24 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.6 p -124.81 20.41 8.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.8 m -123.88 -31.88 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -75.99 101.47 5.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -148.36 165.43 31.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.1 t -47.49 166.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.6 tp-100 -106.86 -15.08 14.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.4 m -99.23 -44.14 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.3 p -105.68 -21.93 13.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.7 p 68.07 45.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.7 p -98.01 134.75 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.519 HG22 HG23 ' A' ' 53' ' ' THR . 48.6 mm -55.94 120.3 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mt -105.45 107.88 19.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.96 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.519 HG23 HG22 ' A' ' 51' ' ' ILE . 80.7 p -122.5 -35.12 3.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.15 -81.37 1.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -120.52 149.33 42.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -167.14 165.47 15.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.445 HG21 ' CZ ' ' A' ' 69' ' ' TYR . 4.5 mt -128.92 134.07 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 p -101.07 130.87 47.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.561 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 4.7 tmtt? -130.04 132.92 46.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.414 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 44.1 t0 43.78 35.05 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.41 37.21 42.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.1 t -142.57 126.06 9.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.664 0.745 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 128.6 16.29 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.73 2.287 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 59.4 m-85 -135.9 155.97 49.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 26.4 p -90.76 168.31 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -67.29 -6.45 18.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.408 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 41.4 t -90.03 -71.41 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.837 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 72' ' ' GLN . 48.8 m-20 -56.09 -57.41 12.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.445 ' CZ ' HG21 ' A' ' 57' ' ' ILE . 25.0 t80 -44.07 -56.53 3.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -60.12 -20.74 59.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.98 -21.99 18.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.468 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 9.3 mt-30 -87.74 -62.09 1.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 4.3 m-85 -113.77 21.07 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.4 m80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.809 0.337 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.5 t -50.07 129.91 21.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.527 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.21 22.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.03 -45.37 0.16 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.2 p -113.11 -7.8 13.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm 62.06 49.08 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.89 127.58 32.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.951 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -167.55 132.02 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.526 ' CD2' ' C ' ' A' ' 61' ' ' GLY . 7.1 mp 53.47 42.48 31.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 54.73 25.95 7.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -129.15 174.83 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -119.9 116.58 26.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.527 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 1.4 m95 -123.17 155.23 37.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.408 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 28.0 m170 -74.88 165.58 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.0 t -68.64 -17.55 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.9 m -120.06 23.03 11.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 51.7 m -124.96 -32.8 2.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -72.26 85.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.416 ' HB2' ' C ' ' A' ' 50' ' ' VAL . 15.8 pttt -133.85 170.54 15.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.6 t -49.44 168.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.564 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.7 tp-100 -107.97 -18.33 13.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.5 m -97.47 -39.98 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.0 p -108.63 -21.5 12.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 m 64.63 54.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.416 ' C ' ' HB2' ' A' ' 44' ' ' LYS . 7.2 p -108.06 135.53 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.3 mm -54.38 121.69 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.0 mt -108.43 108.92 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.5 p -116.97 -47.65 2.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.01 -93.08 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -113.76 152.01 31.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.836 0.351 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -160.37 163.13 33.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.498 ' CG2' ' CE2' ' A' ' 69' ' ' TYR . 9.5 mt -120.48 137.01 55.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.8 p -107.08 126.99 53.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.535 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 5.2 tmtt? -125.9 134.11 51.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.468 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 6.6 t70 40.62 32.42 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.526 ' C ' ' CD2' ' A' ' 34' ' ' LEU . . . 79.19 36.5 27.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' LYS . 40.0 t -141.49 128.5 11.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.601 0.715 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 132.95 24.4 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.638 2.225 . . . . 0.0 112.339 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 62.3 m-85 -142.25 150.7 41.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 26.9 p -88.65 165.16 14.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -64.6 -5.96 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.424 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 23.0 t -90.24 -71.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' ALA . 84.9 m-20 -55.99 -57.13 13.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.498 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 14.6 t80 -44.37 -57.38 3.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -61.79 -17.25 55.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.89 -25.03 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -87.01 -64.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.535 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 23.1 m-85 -97.51 -22.09 16.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.479 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.0 m80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 t -39.36 155.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.562 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -100.6 -3.55 30.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.35 -47.42 0.93 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.3 p -105.85 -11.38 16.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.922 0.392 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? 62.75 42.75 7.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 tt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.91 0.385 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.55 123.07 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.513 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -169.67 130.96 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.072 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mp 57.44 42.42 24.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.5 t70 51.99 25.73 3.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -130.13 175.42 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -117.59 116.36 26.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.562 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 1.1 m95 -123.1 141.05 52.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.956 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -58.83 178.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 40' ' ' VAL . 98.3 t -80.59 -12.93 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.4 t -124.74 17.66 8.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.5 m -115.8 -32.1 5.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.513 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 12.1 t80 -73.89 91.44 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -140.97 170.33 15.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.7 t -52.21 167.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.577 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.2 tp-100 -108.24 -15.54 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 m -99.21 -38.98 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.487 ' SG ' HG12 ' A' ' 50' ' ' VAL . 31.3 p -110.73 -19.62 12.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.2 m 63.2 52.7 2.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.487 HG12 ' SG ' ' A' ' 48' ' ' CYS . 11.6 p -106.18 136.47 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.0 mm -55.81 120.69 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mt -108.02 102.3 11.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.0 p -113.41 -40.82 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.85 -87.84 0.54 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -111.88 157.8 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -171.93 161.42 5.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.9 mt -124.4 135.66 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.097 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.5 p -103.41 130.75 50.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 3.9 tmtt? -129.97 134.69 47.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.463 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 26.4 t70 40.02 32.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.82 36.71 28.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' LYS . 25.1 t -142.36 126.59 9.91 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 111.162 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 131.06 20.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 62.8 m-85 -139.57 152.44 46.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 26.8 p -88.17 169.65 11.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -69.12 -6.3 27.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.422 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 46.8 t -89.89 -71.54 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' GLN . 76.0 m-20 -56.92 -57.63 11.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -43.57 -56.88 3.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -61.21 -21.14 63.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.813 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -94.14 -19.13 21.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' ASP . 29.1 mt-30 -91.45 -63.8 1.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.1 m-85 -100.31 -19.99 16.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 m80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.3 t -46.7 130.52 11.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.574 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -83.48 22.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.56 -38.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -122.33 -4.92 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? 60.69 51.78 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.867 0.365 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.47 123.34 25.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -166.93 138.13 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mp 52.97 40.01 30.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 54.3 25.81 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -128.18 -179.25 4.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -124.33 116.29 22.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.574 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 2.5 m95 -123.23 158.75 30.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -77.23 174.59 10.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 40' ' ' VAL . 47.6 t -76.91 -12.65 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.6 t -125.95 20.23 7.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.9 m -119.81 -34.74 3.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -71.61 86.53 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -134.71 167.58 20.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.3 t -48.73 168.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.587 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 8.2 tp-100 -108.35 -19.33 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 m -96.43 -39.59 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.53 ' SG ' HG12 ' A' ' 50' ' ' VAL . 28.3 p -109.25 -21.54 12.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m 64.26 52.23 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.53 HG12 ' SG ' ' A' ' 48' ' ' CYS . 8.8 p -108.08 129.04 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.456 HG22 HG23 ' A' ' 53' ' ' THR . 30.4 mm -46.16 124.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.5 mt -108.32 109.76 21.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.456 HG23 HG22 ' A' ' 51' ' ' ILE . 68.3 p -124.9 -39.7 2.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -83.77 -87.17 0.83 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -108.79 137.55 46.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -155.96 151.09 26.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.6 mt -124.65 135.72 62.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.4 t -101.19 133.95 44.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.554 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 6.0 tmtm? -130.41 134.23 46.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t70 38.84 33.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.0 38.43 22.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' LYS . 42.3 t -143.44 126.6 8.99 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.598 0.713 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 129.21 17.21 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.587 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.6 m-85 -139.2 153.07 47.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 28.8 p -91.37 167.07 12.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.39 -5.81 8.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.414 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 7.9 t -89.3 -71.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' ALA . 78.6 m-20 -57.97 -59.04 5.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -44.15 -54.39 5.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -59.92 -22.44 62.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.74 -22.1 18.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' ASP . 8.0 mt-30 -90.49 -58.94 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.554 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 2.9 m-85 -113.54 21.05 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.9 m80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.7 t -56.56 133.18 53.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.64 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -82.12 18.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.95 -47.75 0.22 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.484 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.09 -2.87 13.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.391 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? 61.21 52.36 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 38' ' ' TRP . 3.8 tt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.792 0.33 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.13 120.75 15.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -168.15 133.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.547 ' CD2' ' C ' ' A' ' 61' ' ' GLY . 6.4 mp 54.0 42.49 31.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 51.37 31.7 7.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -132.05 178.27 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -124.11 115.96 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.64 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -123.66 161.5 24.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.401 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 31.6 m170 -78.92 161.39 26.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 40' ' ' VAL . 59.3 t -67.46 -14.88 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.4 p -122.13 25.23 9.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 56.0 m -128.72 -32.97 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CD2' HD22 ' A' ' 31' ' ' LEU . 42.9 t80 -72.04 94.04 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HB2' ' C ' ' A' ' 50' ' ' VAL . 8.4 pttm -140.88 169.99 16.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.403 ' HB2' HG12 ' A' ' 50' ' ' VAL . 11.7 t -48.85 167.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.592 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.2 tp-100 -107.46 -17.67 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.408 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 83.8 m -98.29 -40.07 8.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 49' ' ' SER . 22.7 p -108.15 -21.14 12.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 48' ' ' CYS . 1.3 m 65.27 53.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.432 ' C ' ' HB2' ' A' ' 44' ' ' LYS . 7.1 p -109.63 137.52 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.0 mm -50.07 138.2 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.9 mt -125.33 105.91 9.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 t -133.54 -39.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.63 -53.29 4.38 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -151.54 146.35 25.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -166.18 168.97 14.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.52 ' CG2' ' CE2' ' A' ' 69' ' ' TYR . 7.6 mt -132.32 135.73 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.8 p -103.98 127.52 51.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 7.3 tmtt? -126.6 132.16 51.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER 42.95 32.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.547 ' C ' ' CD2' ' A' ' 34' ' ' LEU . . . 80.0 30.09 44.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.448 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 22.3 t -132.96 123.88 18.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.668 0.747 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 129.21 17.19 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 61.5 m-85 -138.61 160.02 40.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 32.1 p -98.29 164.16 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -63.22 -5.94 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -88.79 -71.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 72' ' ' GLN . 80.6 m-20 -60.41 -53.19 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.52 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 15.0 t80 -45.47 -58.86 3.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -61.25 -17.76 55.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.834 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.95 -23.23 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' ASP . 7.8 mt-30 -90.97 -62.71 1.39 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 0.7 OUTLIER -96.64 -22.84 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.8 m80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.9 t -57.67 130.82 48.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.483 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -81.33 16.44 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.73 -41.48 0.42 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.0 p -119.47 -0.36 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 56.84 49.36 14.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 tt . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.9 115.41 6.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.515 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -164.81 123.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 34' ' ' LEU . 6.5 mp 62.05 45.08 7.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 50.19 27.5 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -130.27 177.82 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -125.02 116.37 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.543 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -123.37 153.71 39.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -67.67 165.14 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 40' ' ' VAL . 43.8 t -72.92 -9.85 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 p -126.62 21.66 7.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.1 m -124.21 -30.51 3.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.515 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 34.1 t80 -72.85 96.67 2.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -144.98 170.13 16.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.2 t -52.01 167.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.586 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 11.2 tp-100 -107.39 -17.65 14.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.9 m -98.0 -42.58 7.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.49 ' SG ' HG12 ' A' ' 50' ' ' VAL . 28.5 p -105.6 -20.86 13.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m 64.33 50.15 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.49 HG12 ' SG ' ' A' ' 48' ' ' CYS . 7.7 p -105.54 136.59 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.28 122.68 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.3 mt -107.5 108.55 19.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.4 p -121.21 -36.76 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.32 -87.42 0.64 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -120.6 141.61 50.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.382 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -153.7 169.23 23.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.497 ' CG2' ' CE2' ' A' ' 69' ' ' TYR . 4.8 mt -129.1 134.65 63.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.3 p -102.08 131.36 48.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.596 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 11.7 tmtt? -126.56 131.53 51.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 38.48 31.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . 83.38 37.39 12.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.459 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' LYS . 58.7 t -141.71 125.53 9.99 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.599 0.714 . . . . 0.0 111.135 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.9 16.7 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.334 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.586 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.6 m-85 -139.04 150.24 45.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 28.4 p -87.39 167.66 13.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -66.57 -5.79 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.418 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 9.2 t -89.1 -71.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 72' ' ' GLN . 60.7 m-20 -57.9 -59.56 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.497 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 7.9 t80 -43.25 -58.72 2.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -56.71 -24.78 51.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.07 -17.66 22.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.511 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 10.6 mt-30 -88.66 -63.28 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.596 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 3.0 m-85 -110.9 -1.35 16.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 -179.921 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.8 m80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.822 0.344 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.3 t -58.15 129.07 40.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.88 15.54 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -120.24 -41.64 0.54 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 p -119.98 -3.37 10.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm 61.08 50.36 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 38' ' ' TRP . 5.0 tt . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.28 119.13 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.656 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -164.3 129.5 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp 54.29 47.34 23.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 49.17 26.56 1.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -127.43 -177.93 4.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -126.84 116.58 21.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.497 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.6 m95 -123.24 157.6 32.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -74.49 169.05 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 40' ' ' VAL . 45.3 t -74.42 -12.01 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.2 p -124.32 18.82 9.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.3 m -121.16 -31.28 4.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.656 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 10.4 t80 -72.97 83.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.22 163.23 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.0 t -44.09 165.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.583 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 11.4 tp-100 -105.04 -13.0 15.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 45.1 m -104.25 -43.47 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.2 p -104.15 -20.23 13.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.6 p 64.83 49.41 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 50' ' ' VAL . 5.1 p -106.98 129.79 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.5 mm -45.08 137.43 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.5 mt -124.06 108.57 12.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 t -132.87 -42.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.87 -61.7 2.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -140.09 148.74 42.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.352 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -168.3 170.87 9.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.422 ' HB ' ' CD2' ' A' ' 69' ' ' TYR . 3.0 mt -138.08 130.1 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 t -95.21 131.44 41.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 4.0 tmtt? -129.86 132.41 46.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.468 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 36.4 t0 44.18 31.51 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.3 31.65 41.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.452 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 21.5 t -136.41 129.51 17.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.616 0.722 . . . . 0.0 111.122 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 128.69 16.38 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.724 2.283 . . . . 0.0 112.32 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.583 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.7 m-85 -138.9 156.96 46.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.9 p -97.02 168.49 10.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -65.48 -5.47 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -88.32 -70.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' ALA . 58.5 m-20 -60.26 -56.24 23.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.422 ' CD2' ' HB ' ' A' ' 57' ' ' ILE . 17.3 t80 -43.02 -57.6 2.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -65.59 -16.88 64.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.94 -16.55 23.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' ASP . 25.2 mt-30 -96.89 -63.03 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 8.0 m-85 -100.73 -19.59 15.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 m80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.838 0.351 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -58.55 130.36 46.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.447 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -82.49 21.13 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.48 -42.6 0.26 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.9 p -120.02 -0.09 10.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.903 0.382 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt 58.53 52.01 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 tt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.853 0.359 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.8 124.07 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.419 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -166.06 128.21 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.064 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp 58.97 42.82 18.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 54.04 27.58 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -131.34 177.34 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -124.32 116.47 22.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.548 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -123.5 159.53 28.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -78.66 169.04 18.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.7 t -71.6 -20.37 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 p -116.17 21.1 13.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.6 m -123.21 -35.02 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 15.9 t80 -71.45 95.86 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -144.87 167.88 21.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.0 t -50.47 166.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.2 tp-100 -106.9 -15.85 14.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.1 m -99.09 -43.44 6.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.444 ' SG ' HG12 ' A' ' 50' ' ' VAL . 24.9 p -105.66 -20.11 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 m 63.96 54.8 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.444 HG12 ' SG ' ' A' ' 48' ' ' CYS . 7.4 p -110.95 133.05 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.515 HG22 HG23 ' A' ' 53' ' ' THR . 33.3 mm -47.29 128.35 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.6 mt -112.84 99.2 7.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.515 HG23 HG22 ' A' ' 51' ' ' ILE . 70.3 p -117.9 -43.61 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.31 -74.35 0.99 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -124.5 154.23 40.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.381 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -169.84 157.03 6.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.544 HG21 ' CZ ' ' A' ' 69' ' ' TYR . 7.3 mt -126.67 134.69 65.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.4 p -100.67 130.07 46.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.561 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 3.2 tmtt? -130.49 132.15 45.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.952 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.486 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 37.7 t70 40.59 39.83 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.04 37.57 60.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.404 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 21.3 t -142.95 122.46 7.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 130.25 19.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.23 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 64.6 m-85 -137.19 161.13 37.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 32.0 p -96.82 165.19 12.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.6 -5.78 4.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -88.97 -71.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 71' ' ' ALA . 57.7 m-20 -59.03 -58.17 9.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.544 ' CZ ' HG21 ' A' ' 57' ' ' ILE . 15.2 t80 -43.51 -55.88 3.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -57.34 -23.78 51.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.77 -21.95 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 7.2 mt-30 -87.74 -61.48 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 5.8 m-85 -114.65 21.79 14.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.6 m80 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.839 0.352 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.3 t -53.24 133.17 39.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.46 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -82.14 18.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.37 -41.32 0.36 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -122.47 1.78 9.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp 55.6 49.23 16.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.833 0.349 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.02 125.89 30.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.459 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -163.64 134.81 4.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 34' ' ' LEU . 7.3 mp 51.36 43.83 29.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 54.17 26.42 6.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -127.79 -179.3 4.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -125.68 116.02 21.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.499 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.2 m95 -123.52 150.26 44.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -68.44 171.43 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.412 ' O ' HG12 ' A' ' 40' ' ' VAL . 56.8 t -75.5 -14.77 15.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.5 p -120.49 17.36 12.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.7 m -118.38 -39.05 3.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.459 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 9.5 t80 -65.02 86.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.09 164.14 28.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.0 t -49.53 167.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.589 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.1 tp-100 -108.09 -15.0 14.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.439 ' CG2' ' CG ' ' A' ' 68' ' ' ASP . 3.4 m -99.21 -41.77 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.478 ' SG ' HG12 ' A' ' 50' ' ' VAL . 27.6 p -109.29 -20.33 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 p 67.48 46.36 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.478 HG12 ' SG ' ' A' ' 48' ' ' CYS . 8.4 p -105.19 128.95 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.3 mm -43.82 137.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.0 mt -123.67 107.21 11.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 t -132.74 -39.06 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.04 -62.72 2.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -140.2 143.82 36.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -168.45 159.56 10.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 mt -126.09 135.96 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.6 t -98.03 134.08 41.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 3.6 tmtt? -130.31 135.55 48.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' LYS . 16.3 t70 38.52 32.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.14 37.93 23.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 59' ' ' LYS . 37.7 t -142.96 127.79 9.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.622 0.725 . . . . 0.0 111.109 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 130.42 19.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.589 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.1 m-85 -140.98 149.8 42.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 67' ' ' SER . 25.8 p -84.71 170.16 13.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -68.62 -6.58 26.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.421 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . 38.8 m -90.48 -70.71 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.439 ' CG ' ' CG2' ' A' ' 47' ' ' THR . 75.4 m-20 -55.92 -59.12 5.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -43.79 -55.66 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -58.87 -22.79 59.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.77 -21.79 19.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.494 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 29.4 mt-30 -88.35 -59.93 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 6.4 m-85 -116.18 21.14 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.0 m80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.848 0.356 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.42 131.34 45.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.431 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.72 18.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.05 -41.11 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.38 -1.61 10.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? 57.15 52.95 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 38' ' ' TRP . 3.0 tt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.78 114.25 6.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.407 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -161.42 127.28 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 mp 61.5 41.24 12.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.3 t0 52.79 26.18 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -127.97 176.27 7.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -121.18 116.1 24.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.505 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 1.1 m95 -123.48 152.73 41.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -69.18 162.95 26.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 40' ' ' VAL . 45.0 t -70.67 -10.32 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 p -125.79 21.29 7.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.5 m -124.65 -31.14 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.407 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 39.3 t80 -71.97 99.91 2.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -147.86 170.22 18.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.8 t -51.4 167.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.578 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.8 tp-100 -108.69 -18.0 13.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.2 m -97.85 -37.69 9.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.2 p -111.37 -20.91 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m 64.53 55.0 1.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -110.71 136.06 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.47 HG22 HG23 ' A' ' 53' ' ' THR . 44.4 mm -54.8 123.49 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.0 mt -110.25 104.68 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.47 HG23 HG22 ' A' ' 51' ' ' ILE . 74.4 p -118.21 -40.63 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.186 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.51 -83.96 0.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -116.34 148.32 40.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.928 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -165.93 158.04 14.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.458 ' CG2' ' CE2' ' A' ' 69' ' ' TYR . 3.7 mt -125.23 136.09 61.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.9 p -102.4 134.39 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.561 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 5.7 tmtm? -129.67 137.82 50.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.466 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 19.6 t0 39.92 26.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . 84.41 36.85 11.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 22.9 t -141.43 130.64 12.56 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 111.093 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 129.4 17.58 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.65 2.233 . . . . 0.0 112.403 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 63.2 m-85 -139.56 152.93 47.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.7 p -88.8 170.6 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -68.54 -7.58 33.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.0 m -90.48 -71.41 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -55.61 -55.66 29.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.458 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 10.2 t80 -47.32 -53.72 12.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -60.91 -21.75 63.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.98 -20.33 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.526 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 5.3 mt-30 -89.8 -60.06 2.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.6 m-85 -116.58 21.25 13.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.6 m80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.815 0.34 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -52.3 128.56 25.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.45 17.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.29 -39.67 0.5 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -122.16 -3.78 9.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? 61.59 53.31 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 38' ' ' TRP . 4.5 tt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.855 0.36 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.78 121.31 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.519 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -167.02 137.98 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.053 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 34' ' ' LEU . 6.1 mp 49.96 40.26 20.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.1 t0 54.91 26.6 8.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -129.01 176.09 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -120.43 115.91 24.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.516 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -123.65 153.62 40.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -68.65 168.9 12.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 40' ' ' VAL . 53.9 t -74.58 -11.63 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.1 m -124.9 18.53 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.9 m -120.09 -32.08 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.519 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 10.7 t80 -71.99 81.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 161.75 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.3 t -44.21 167.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.59 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 8.1 tp-100 -106.53 -14.6 15.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.8 m -103.88 -38.39 7.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.414 ' SG ' HG12 ' A' ' 50' ' ' VAL . 22.6 p -110.01 -18.35 13.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.4 p 61.43 48.65 5.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 50' ' ' VAL . 5.5 p -105.62 121.19 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.2 mm -38.94 136.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.0 mt -123.27 106.68 10.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.27 -39.86 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.52 -78.88 0.91 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.49 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -120.96 151.66 39.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -172.61 163.94 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.8 mt -129.77 136.75 58.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 96.4 p -101.29 133.05 46.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.557 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 1.5 tmtt? -130.46 133.27 46.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.474 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 38.3 t70 39.57 37.63 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.44 38.08 45.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.437 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 26.1 t -142.71 125.84 9.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.719 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 128.28 15.85 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.59 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.4 m-85 -137.86 153.34 49.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 31.5 p -92.58 165.56 12.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -63.65 -6.04 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -88.57 -71.07 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 72' ' ' GLN . 81.7 m-20 -59.16 -56.89 16.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -42.85 -58.85 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -62.06 -18.87 62.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.95 -18.67 21.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' ASP . 29.0 mt-30 -94.51 -64.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.557 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 7.7 m-85 -97.93 -21.42 16.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.449 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.3 m80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.833 0.349 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.5 t -60.04 148.26 36.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.621 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -94.98 8.21 43.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -117.28 -49.13 0.41 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.477 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -108.15 -8.69 15.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 61.96 45.39 7.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.863 0.363 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.73 123.63 23.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.48 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -166.27 123.63 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.486 HD12 ' N ' ' A' ' 34' ' ' LEU . 6.1 mp 61.21 48.67 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 2.7 p30 48.17 25.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -129.37 174.02 10.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -119.08 116.45 26.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.621 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 1.3 m95 -123.07 153.8 39.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -69.72 175.58 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 40' ' ' VAL . 58.8 t -77.8 -13.23 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -125.28 18.56 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.0 m -118.21 -29.24 5.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.48 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 24.9 t80 -75.37 79.11 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 167.88 17.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 64' ' ' TYR . 14.1 t -47.43 167.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.564 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.6 tp-100 -107.85 -14.8 14.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 97.1 m -101.56 -37.86 8.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.4 ' HG ' ' CB ' ' A' ' 45' ' ' CYS . 28.9 p -110.98 -20.28 12.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 m 64.18 52.37 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.808 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.401 HG12 ' HB2' ' A' ' 45' ' ' CYS . 9.5 p -106.98 137.03 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.1 mm -54.49 128.99 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.6 mt -117.22 108.57 15.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.2 p -122.23 -32.14 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.72 -90.32 1.33 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -108.49 146.33 33.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.824 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -165.24 156.6 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.402 ' CG2' ' CE2' ' A' ' 69' ' ' TYR . 3.5 mt -120.78 135.15 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.3 p -108.1 132.46 53.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.579 ' HE2' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -129.94 131.54 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.522 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 28.9 t70 45.36 33.65 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.55 27.84 56.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.435 HG11 ' OH ' ' A' ' 64' ' ' TYR . 22.6 t -129.4 122.92 21.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 111.137 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 130.82 20.04 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 61.3 m-85 -140.09 155.1 47.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.1 p -91.27 175.87 6.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -74.33 -7.1 51.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.7 m -90.86 -71.61 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -55.12 -57.7 10.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.402 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 12.0 t80 -44.52 -56.85 3.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -62.04 -19.06 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.72 -18.57 21.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' ASP . 10.1 mt-30 -99.11 -62.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CE2' ' HE2' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -96.72 -20.83 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.946 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.4 m80 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.845 0.355 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.4 t -64.57 131.52 47.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.585 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -83.34 22.61 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.06 -40.6 0.28 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.3 p -121.43 -3.59 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt 62.38 42.96 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.933 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.869 0.366 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.11 132.79 44.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.461 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -169.27 138.28 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp 49.52 45.35 24.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 52.0 28.23 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -129.13 178.89 6.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -125.06 115.69 20.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.585 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -124.04 159.46 29.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -75.48 167.03 22.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.495 ' O ' HG12 ' A' ' 40' ' ' VAL . 97.5 t -72.35 -10.62 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.2 p -126.88 21.67 6.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.0 m -123.65 -31.63 3.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.461 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 17.9 t80 -72.88 81.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.0 166.76 20.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.409 ' HB2' HG12 ' A' ' 50' ' ' VAL . 15.4 t -45.73 167.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.533 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.8 tp-100 -108.04 -17.84 13.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 50.0 m -96.43 -40.28 9.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.6 p -108.8 -24.33 11.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 t 70.88 53.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.409 HG12 ' HB2' ' A' ' 45' ' ' CYS . 8.0 p -111.22 137.15 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.0 mm -48.81 137.64 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.4 mt -125.71 106.97 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 t -131.95 -39.54 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.35 -69.07 1.42 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -131.41 135.22 46.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.875 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -158.61 157.03 31.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.2 mt -124.14 133.51 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.5 p -96.38 132.31 42.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -131.12 131.88 44.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.468 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 39.3 t0 39.56 37.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.47 36.7 43.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.45 HG11 ' HG2' ' A' ' 46' ' ' GLN . 21.7 t -142.92 123.5 8.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.661 0.744 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 126.98 13.96 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.709 2.272 . . . . 0.0 112.346 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.533 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 63.6 m-85 -132.27 159.68 38.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 28.9 p -95.04 165.09 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -64.93 -5.5 6.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.41 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 8.1 t -89.69 -71.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -57.79 -58.49 8.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -43.99 -56.85 3.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -55.8 -23.08 28.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.59 -22.37 18.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.54 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 6.0 mt-30 -85.68 -62.45 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.54 ' CD1' ' HB3' ' A' ' 72' ' ' GLN . 3.7 m-85 -115.03 20.93 14.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.926 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.7 m80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.838 0.351 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.2 t -41.38 156.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.529 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -100.64 -7.11 24.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.79 -42.69 1.52 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.463 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -109.14 -10.66 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt 59.56 50.05 7.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.524 HD13 ' CB ' ' A' ' 43' ' ' PHE . 5.2 tt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.853 0.359 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.67 126.54 30.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -170.7 128.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.063 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp 60.21 42.06 15.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.5 t0 54.84 25.57 6.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -131.19 174.7 9.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -122.09 117.69 26.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.598 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.5 OUTLIER -123.14 147.29 46.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -66.08 172.66 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.488 ' O ' HG12 ' A' ' 40' ' ' VAL . 92.7 t -76.42 -10.94 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.4 p -123.17 16.95 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.5 m -118.15 -36.48 3.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.524 ' CB ' HD13 ' A' ' 31' ' ' LEU . 15.9 t80 -69.79 105.93 2.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -153.57 168.38 26.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.5 t -50.45 167.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.589 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.9 tp-100 -107.3 -19.51 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.401 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 59.1 m -96.85 -42.29 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.04 -21.58 13.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m 63.43 54.94 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.0 p -109.16 136.3 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.588 HG22 HG23 ' A' ' 53' ' ' THR . 36.7 mm -54.32 120.86 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 mt -105.68 103.33 12.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.588 HG23 HG22 ' A' ' 51' ' ' ILE . 69.4 p -115.91 -39.59 3.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.84 -84.51 0.77 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -114.67 157.45 23.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -169.19 158.84 8.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.528 ' HB ' ' CD2' ' A' ' 69' ' ' TYR . 3.2 mt -128.52 128.01 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.182 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.9 p -96.56 131.12 43.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 62' ' ' VAL . 7.7 tmtm? -131.02 132.79 45.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER 42.8 37.47 1.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.61 29.53 61.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.548 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 4.0 t -134.91 121.21 14.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.569 0.7 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 125.96 12.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.589 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 66.7 m-85 -132.91 159.53 39.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 30.3 p -94.4 172.87 7.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -69.94 -5.86 29.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.6 t -90.02 -71.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' ALA . 80.4 m-20 -57.94 -55.99 27.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.528 ' CD2' ' HB ' ' A' ' 57' ' ' ILE . 6.9 t80 -44.51 -53.97 6.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -68.12 -16.53 64.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -94.02 -16.86 23.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -98.12 -64.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.416 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.8 m-85 -105.23 20.87 18.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.543 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -146.55 109.36 4.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -153.88 152.41 30.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.69 117.0 1.97 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t -157.0 121.75 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.847 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.3 m -146.31 159.38 43.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.33 107.26 0.31 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -131.41 142.61 46.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.572 0.701 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 138.1 36.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.639 2.226 . . . . 0.0 112.375 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.83 HG13 HG23 ' A' ' 12' ' ' ILE . 10.3 tp -84.96 120.76 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -91.03 39.93 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.83 HG23 HG13 ' A' ' 10' ' ' ILE . 2.7 pp -89.73 20.37 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -79.59 115.99 19.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 47.05 84.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -167.99 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.2 m 61.43 45.72 8.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -62.99 147.15 51.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.3 t -53.35 128.51 28.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.65 16.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.43 -37.4 0.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -123.93 -5.23 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.3 mptt 62.96 49.2 3.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -123.42 133.98 54.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -56.14 124.22 17.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.868 HG21 ' HB3' ' A' ' 30' ' ' SER . 39.1 mt -92.83 78.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -119.5 -48.01 2.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -80.58 -31.14 36.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.01 -157.78 29.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -115.97 163.77 15.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.868 ' HB3' HG21 ' A' ' 25' ' ' ILE . 77.7 p -122.9 166.86 14.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 38' ' ' TRP . 3.7 tt -134.82 121.77 21.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.433 ' N ' HD23 ' A' ' 31' ' ' LEU . 4.4 mm? -71.31 121.57 18.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -169.45 123.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mp 61.55 44.47 9.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 51.34 26.09 2.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -129.16 175.99 8.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -123.07 116.24 23.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.527 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -123.36 153.84 39.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.479 ' CD2' HG12 ' A' ' 25' ' ' ILE . 29.6 m170 -69.6 170.05 11.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.4 ' O ' HG12 ' A' ' 40' ' ' VAL . 33.4 t -76.05 -12.67 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.8 p -122.98 17.33 10.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.1 m -118.74 -33.55 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.524 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 9.2 t80 -71.62 106.22 3.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -153.48 165.85 34.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.7 t -48.76 167.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.581 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.0 tp-100 -106.61 -15.73 14.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.7 m -101.42 -40.89 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.469 ' SG ' HG12 ' A' ' 50' ' ' VAL . 23.7 p -107.26 -19.56 13.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.2 p 62.48 52.94 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.469 HG12 ' SG ' ' A' ' 48' ' ' CYS . 10.0 p -109.81 129.62 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.1 mm -48.55 126.93 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.0 mt -109.75 110.38 21.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.8 p -126.25 -43.15 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -74.91 -72.45 1.04 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -134.68 152.08 51.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.844 0.354 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -166.57 161.42 15.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.488 ' HB ' ' CD2' ' A' ' 69' ' ' TYR . 2.2 mt -127.23 130.58 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.3 p -98.0 133.21 42.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.571 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 2.4 tmtt? -130.47 137.84 49.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.463 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 36.6 t70 41.12 29.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.95 35.83 23.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.451 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 12.7 t -140.18 127.34 12.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 0.0 111.16 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.2 15.69 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.627 2.218 . . . . 0.0 112.363 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.5 m-85 -137.33 155.35 49.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 31.1 p -93.97 165.74 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -64.2 -5.92 5.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 t -87.96 -70.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' GLN . 68.8 m-20 -59.88 -57.61 12.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.488 ' CD2' ' HB ' ' A' ' 57' ' ' ILE . 11.3 t80 -42.39 -57.23 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -61.56 -21.31 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.62 -18.5 22.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' ASP . 15.9 mt-30 -88.18 -61.75 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 14.9 m-85 -107.81 -14.76 14.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -72.0 -42.85 50.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -97.58 134.5 40.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -128.99 -99.56 0.93 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 178.65 4.35 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.305 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -48.07 -55.57 9.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 m -83.21 47.75 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.112 -0.826 . . . . 0.0 112.469 -179.991 . . . . . . . . 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 -0.348 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -155.18 161.61 41.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.877 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -105.59 -43.43 4.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.47 96.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 t -90.69 121.87 32.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -143.82 144.78 31.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.45 123.77 1.62 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -138.14 116.43 9.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 158.75 55.82 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.631 2.221 . . . . 0.0 112.34 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.698 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -130.97 164.16 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 mtmm -67.48 115.19 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.1 mm -132.7 101.04 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -60.14 -53.88 52.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 61.54 62.53 5.7 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.44 ' HG3' ' CD ' ' A' ' 24' ' ' GLU . 53.7 Cg_endo -69.75 175.94 7.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.705 2.27 . . . . 0.0 112.351 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 m -66.88 117.22 8.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -103.94 145.18 30.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.5 t -53.11 129.97 32.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.4 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.96 17.49 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.09 -38.47 0.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 p -124.43 -2.38 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.377 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 60.27 53.06 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -124.67 133.61 53.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' CD ' ' HG3' ' A' ' 15' ' ' PRO . 25.3 tt0 -54.0 122.44 10.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.735 HG21 ' HB3' ' A' ' 30' ' ' SER . 92.8 mt -94.02 136.11 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' HIS . 9.3 mptt -81.71 39.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' LYS . 11.7 t-80 34.58 40.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -128.24 -82.14 0.34 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.55 42.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.735 ' HB3' HG21 ' A' ' 25' ' ' ILE . 82.8 p -93.09 162.46 14.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 tt -129.85 119.25 23.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.52 126.81 31.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.618 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -168.73 124.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.55 HD23 ' HA2' ' A' ' 61' ' ' GLY . 6.6 mp 57.34 49.89 12.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 49.26 25.61 1.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -127.42 -179.61 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -127.31 116.15 20.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.489 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -123.77 143.99 49.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -64.59 171.48 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.48 ' O ' HG12 ' A' ' 40' ' ' VAL . 88.7 t -75.72 -11.85 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 p -124.07 18.09 9.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.6 m -119.78 -34.57 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.618 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 5.5 t80 -69.89 97.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.26 164.66 30.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.6 t -49.55 166.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.546 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.9 tp-100 -107.34 -18.11 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.1 m -96.14 -42.93 7.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.5 p -105.51 -24.4 12.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t 70.72 49.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.8 p -107.27 134.99 47.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.6 mm -51.66 128.95 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.4 mt -114.72 101.31 8.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.7 p -122.26 -34.44 3.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -84.16 -83.46 0.96 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -122.26 139.26 54.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -159.85 167.91 27.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.67 136.54 56.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.1 p -100.86 132.67 46.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.529 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 6.3 tmtm? -128.42 133.44 48.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.416 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 6.5 t70 44.11 26.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.55 ' HA2' HD23 ' A' ' 34' ' ' LEU . . . 84.89 34.61 14.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.425 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 28.3 t -139.85 131.36 14.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 111.175 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 130.45 19.36 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.546 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 57.6 m-85 -141.46 147.17 37.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.81 164.5 17.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -62.45 -6.79 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -87.63 -70.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -58.72 -57.46 12.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -44.43 -53.69 6.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -61.18 -22.0 64.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.73 -18.55 21.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.495 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 18.0 mt-30 -90.61 -58.7 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.529 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.2 m-85 -117.85 20.23 13.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -113.8 -34.89 1.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.443 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.9 t -171.06 149.06 2.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.834 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.39 123.83 1.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.526 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -29.4 24.09 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.379 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.7 t -168.12 122.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.8 t -152.04 130.76 12.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.484 179.985 . . . . . . . . 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 -0.318 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -174.52 118.53 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -140.79 176.05 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.4 157.09 26.45 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.433 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -102.22 -62.14 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -173.56 167.56 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.24 60.68 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.525 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -158.02 125.96 2.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 174.63 9.22 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.6 tp -110.81 149.76 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -115.23 51.53 0.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.1 pt -100.68 38.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -130.71 144.92 51.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.43 -168.28 34.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -175.79 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 p -69.03 122.36 18.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -110.47 139.5 45.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.607 ' HA ' HD11 ' A' ' 25' ' ' ILE . 51.6 t -48.53 137.61 11.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.714 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -81.88 16.12 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.067 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.02 -49.48 0.19 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -110.79 -2.76 16.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 59.45 41.84 18.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -110.86 135.01 52.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -51.25 125.3 13.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.607 HD11 ' HA ' ' A' ' 18' ' ' CYS . 65.6 mt -99.2 77.28 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -69.76 -68.06 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -74.98 177.0 6.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 29' ' ' GLN . . . -55.64 -109.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' GLY . 3.6 tp60 35.24 35.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 28' ' ' GLY . 83.0 p -115.32 171.94 7.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 38' ' ' TRP . 2.5 tt -147.35 122.75 10.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.405 ' HA ' HD13 ' A' ' 32' ' ' LEU . 4.0 mm? -80.53 132.94 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.592 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -172.09 133.69 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.608 HD23 ' HA2' ' A' ' 61' ' ' GLY . 6.8 mp 54.48 38.97 30.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.67 25.49 13.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm -126.85 178.4 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -123.12 116.35 23.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.714 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 1.3 m95 -123.17 146.06 48.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -68.91 171.3 8.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 40' ' ' VAL . 89.1 t -74.03 -15.31 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.1 p -120.83 19.59 11.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.8 m -122.1 -33.19 3.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.592 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 10.7 t80 -71.84 100.15 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -149.97 170.37 19.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.0 t -52.9 167.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.588 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.9 tp-100 -107.77 -15.45 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.7 m -99.29 -42.59 6.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.451 ' SG ' HG12 ' A' ' 50' ' ' VAL . 27.8 p -107.36 -19.29 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 m 63.95 49.37 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.451 HG12 ' SG ' ' A' ' 48' ' ' CYS . 7.3 p -103.68 135.34 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.9 mm -55.78 127.11 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.3 mt -115.16 102.22 9.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.6 p -109.75 -42.13 4.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.59 -84.74 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.06 167.64 17.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -173.26 174.91 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.483 HG21 ' CZ ' ' A' ' 69' ' ' TYR . 3.6 mt -125.71 132.2 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.6 p -99.73 129.0 45.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.419 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 7.7 tmtt? -129.63 133.0 46.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.6 t0 41.99 34.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.608 ' HA2' HD23 ' A' ' 34' ' ' LEU . . . 75.66 36.87 41.67 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.475 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.444 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 21.5 t -143.31 126.92 9.22 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.66 0.743 . . . . 0.0 111.11 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.55 19.53 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.667 2.244 . . . . 0.0 112.418 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 64.4 m-85 -138.69 147.44 42.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 67' ' ' SER . 26.0 p -82.5 170.92 14.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -69.89 -6.28 31.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.424 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . 5.5 m -90.22 -71.19 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 72' ' ' GLN . 69.4 m-20 -56.33 -58.37 8.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.483 ' CZ ' HG21 ' A' ' 57' ' ' ILE . 12.7 t80 -43.99 -55.73 4.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -60.34 -21.19 61.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.91 -22.02 18.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.445 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.3 mt-30 -87.98 -60.99 1.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 72' ' ' GLN . 4.1 m-85 -113.82 20.84 15.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -116.69 -38.84 0.87 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 m -137.23 161.77 35.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.906 0.384 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.95 89.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 90.52 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.654 2.236 . . . . 0.0 112.374 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.3 t -87.93 -47.04 8.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 t -125.37 152.49 44.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.477 -179.968 . . . . . . . . 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 1.451 -0.306 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -135.63 139.11 43.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 t -153.28 144.99 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.8 -162.16 24.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -159.65 132.36 6.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.905 0.383 . . . . 0.0 110.818 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 p -144.18 138.35 28.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.59 73.56 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 8.7 ptpp? -100.32 108.82 54.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.621 0.724 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 8' ' ' LYS . 53.8 Cg_endo -69.75 145.55 57.58 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.7 pt -115.84 160.06 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -106.11 88.46 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.0 mt -76.47 87.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -153.54 152.89 31.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.23 63.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' O ' ' CE1' ' A' ' 17' ' ' HIS . 53.8 Cg_endo -69.78 -175.61 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.266 . . . . 0.0 112.339 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.1 m -69.35 109.8 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.403 ' CE1' ' O ' ' A' ' 15' ' ' PRO . 8.0 m80 -98.96 153.06 19.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.525 ' HA ' HD11 ' A' ' 25' ' ' ILE . 46.2 t -63.57 131.83 49.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.533 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.96 19.97 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.72 -37.51 0.44 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p -127.12 3.8 6.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt 53.08 53.01 12.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -125.05 131.36 53.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -48.06 124.14 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.525 HD11 ' HA ' ' A' ' 18' ' ' CYS . 75.9 mt -92.72 109.41 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -65.01 149.36 49.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -65.09 89.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.27 -45.96 0.23 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.426 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -117.54 103.62 10.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 110.915 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.429 ' HB3' HG21 ' A' ' 25' ' ' ILE . 77.3 p -155.15 159.26 40.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tt -133.78 115.25 14.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 32' ' ' LEU . 4.4 mm? -74.74 121.51 21.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.514 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -165.74 134.29 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.609 HD23 ' HA2' ' A' ' 61' ' ' GLY . 6.5 mp 53.85 43.52 30.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 t0 52.21 25.97 3.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -128.9 179.66 5.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -125.67 116.3 21.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.546 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -123.32 157.4 33.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -73.81 169.37 17.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -72.56 -19.27 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.1 p -116.81 19.71 14.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.8 m -122.02 -34.28 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.514 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 23.2 t80 -71.17 99.33 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -150.25 172.4 15.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.1 t -54.47 166.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.6 tp-100 -108.15 -16.83 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 m -98.89 -39.43 8.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.489 ' SG ' HG12 ' A' ' 50' ' ' VAL . 23.8 p -109.28 -20.76 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 m 63.79 54.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.489 HG12 ' SG ' ' A' ' 48' ' ' CYS . 8.1 p -111.01 134.79 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.5 mm -54.17 124.2 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.1 mt -110.84 111.49 22.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.4 p -126.38 -41.76 1.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.93 -78.92 0.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -119.77 146.6 45.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -166.4 166.43 16.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 mt -132.21 136.88 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.8 p -105.77 128.44 53.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.492 ' HD2' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -126.78 135.83 51.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.6 t70 41.82 28.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.609 ' HA2' HD23 ' A' ' 34' ' ' LEU . . . 82.53 35.07 20.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' LYS . 33.3 t -140.17 129.3 13.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.578 0.704 . . . . 0.0 111.145 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 132.1 22.59 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.4 m-85 -143.38 144.47 32.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.3 p -84.6 165.46 17.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -63.1 -6.74 4.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.6 t -88.24 -70.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' GLN . 81.0 m-20 -58.39 -58.59 7.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -43.12 -57.02 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -58.06 -24.36 58.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -94.0 -18.0 22.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 68' ' ' ASP . 5.8 mt-30 -95.75 -62.04 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.492 ' CE2' ' HD2' ' A' ' 59' ' ' LYS . 2.0 m-85 -110.94 21.39 16.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -115.06 -36.3 1.25 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.9 t -83.28 161.61 21.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 78' ' ' SER . . . -141.18 -72.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 78' ' ' SER . 53.4 Cg_endo -69.82 11.45 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.65 2.234 . . . . 0.0 112.349 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.524 ' C ' ' O ' ' A' ' 77' ' ' PRO . 27.6 p -27.46 122.19 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.6 p -78.53 144.6 35.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.5 -179.995 . . . . . . . . 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 -0.339 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 t -152.01 144.31 24.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -168.9 121.95 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.17 178.8 44.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -173.77 147.06 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.908 0.385 . . . . 0.0 110.857 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 p -173.16 153.38 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.45 103.31 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -154.05 131.53 6.17 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 177.98 5.02 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.46 ' CG1' HG12 ' A' ' 12' ' ' ILE . 6.4 tp -113.5 144.8 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.412 ' N ' HG13 ' A' ' 10' ' ' ILE . 20.8 mmtp -99.81 67.42 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.46 HG12 ' CG1' ' A' ' 10' ' ' ILE . 25.9 pt -133.8 126.39 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -175.23 146.94 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.839 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.13 77.18 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -172.51 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.419 ' CB ' ' NE2' ' A' ' 37' ' ' GLN . 74.0 m -95.86 136.85 35.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.828 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -118.76 137.93 53.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.646 ' HA ' HD11 ' A' ' 25' ' ' ILE . 42.9 t -52.05 132.12 32.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.601 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -83.2 23.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.93 -43.4 0.18 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.9 p -117.63 -2.29 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.937 0.398 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 60.34 44.69 12.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.939 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -113.3 133.9 54.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -54.54 122.25 10.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.646 HD11 ' HA ' ' A' ' 18' ' ' CYS . 33.0 mt -97.69 77.55 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 27' ' ' HIS . 13.1 pttm -102.95 -43.21 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.474 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 10.0 t60 -34.35 -51.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 145.88 -62.87 0.46 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -43.34 110.2 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.813 0.339 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.1 p -142.14 163.8 31.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tt -135.95 108.0 7.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.7 130.01 39.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.966 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -173.27 130.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 34' ' ' LEU . 7.1 mp 57.66 43.56 22.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 51.9 28.05 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -129.51 175.65 8.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' NE2' ' CB ' ' A' ' 16' ' ' SER . 30.3 mt-30 -125.23 116.2 21.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.601 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -123.61 160.87 26.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.413 ' NE2' HG12 ' A' ' 25' ' ' ILE . 31.6 m170 -78.38 171.53 14.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.89 -18.2 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.7 p -119.61 20.8 12.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.6 m -122.62 -30.67 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -74.38 88.48 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.79 166.41 24.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.1 t -47.72 166.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.8 tp-100 -108.52 -16.23 14.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.5 m -99.89 -37.15 9.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.485 ' SG ' HG12 ' A' ' 50' ' ' VAL . 22.3 p -112.93 -20.61 11.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.1 t 64.34 54.92 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.485 HG12 ' SG ' ' A' ' 48' ' ' CYS . 8.9 p -113.09 125.7 70.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.497 HG22 HG23 ' A' ' 53' ' ' THR . 50.1 mm -41.5 131.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.0 mt -116.42 99.36 7.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.497 HG23 HG22 ' A' ' 51' ' ' ILE . 81.2 p -113.72 -43.57 3.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.14 -89.13 0.38 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.53 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.5 mp0 -110.88 145.27 38.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.37 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -162.76 155.49 19.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.6 mt -123.81 138.74 52.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.6 p -104.15 132.23 50.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.558 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 4.7 tmtt? -126.92 133.36 50.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t0 41.72 26.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . 85.78 38.31 8.82 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.451 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.402 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 43.2 t -143.5 130.96 10.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.731 . . . . 0.0 111.103 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 130.39 19.23 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.226 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.3 m-85 -141.03 150.15 42.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.0 p -89.07 164.53 15.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -63.17 -6.43 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.3 t -88.27 -70.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' GLN . 82.4 m-20 -58.35 -58.69 7.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -42.96 -58.35 2.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -57.78 -21.96 44.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.76 -21.06 19.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.466 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.2 mt-30 -90.74 -59.79 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 6.9 m-85 -115.23 21.57 14.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -111.46 -36.67 1.72 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.6 p -99.99 86.84 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.379 . . . . 0.0 110.841 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' A' ' 78' ' ' SER . . . -94.21 178.34 37.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.515 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 15.9 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 76' ' ' GLY . 71.9 m -76.47 52.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.1 m 53.2 47.63 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.524 179.992 . . . . . . . . 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 . . . . . 0.414 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 1' ' ' GLY . 75.5 p 37.06 41.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.841 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -146.43 153.22 40.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.74 106.67 0.19 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 m -114.66 148.57 37.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.887 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -130.48 117.78 20.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.75 54.23 0.12 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -78.15 121.95 84.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.592 0.71 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -173.67 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.51 HD11 HD11 ' A' ' 12' ' ' ILE . 23.6 pt -113.41 153.7 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -88.86 116.44 27.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.51 HD11 HD11 ' A' ' 10' ' ' ILE . 45.1 mt -118.74 79.46 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -74.96 -59.72 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.57 116.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -42.96 3.02 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 m -160.66 149.57 16.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -137.14 157.13 47.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' HA ' HD11 ' A' ' 25' ' ' ILE . 52.9 t -61.45 131.08 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.519 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -84.25 20.56 1.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.73 -36.06 0.46 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 p -123.3 -4.55 8.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.957 0.408 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mptt 61.03 50.47 5.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -125.58 133.81 52.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -51.93 125.55 15.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.492 HG21 ' HB3' ' A' ' 30' ' ' SER . 82.8 mt -93.26 83.21 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' HIS . 9.4 mmmm -58.51 128.92 39.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -34.52 130.12 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.71 -47.81 0.61 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -151.63 132.18 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 110.893 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.492 ' HB3' HG21 ' A' ' 25' ' ' ILE . 85.2 p -167.85 156.82 9.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tt -122.58 112.86 18.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -74.97 130.05 38.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -171.89 137.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp 52.3 41.4 30.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.1 t70 54.22 27.03 7.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -130.39 176.37 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -122.64 116.2 23.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.556 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -123.42 158.49 31.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -78.39 167.35 21.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 t -70.34 -20.02 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 p -115.37 18.96 15.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.3 m -122.54 -32.62 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -72.73 99.17 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -148.93 171.28 16.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.5 t -52.43 166.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.577 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.5 tp-100 -107.56 -15.36 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.1 m -100.48 -40.44 7.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.6 p -108.19 -20.18 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 m 63.61 53.86 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -109.62 137.6 41.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.1 mm -55.27 128.33 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 mt -115.0 107.6 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.3 p -124.34 -36.64 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.47 -73.28 1.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -130.71 150.19 52.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -163.76 164.31 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.2 mt -132.24 131.95 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.8 p -100.1 133.03 45.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.478 ' HD3' ' N ' ' A' ' 60' ' ' ASP . 1.8 tmtt? -129.44 132.26 46.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.478 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 27.5 t70 43.94 33.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.4 37.13 32.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.481 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 20.7 t -141.74 128.29 11.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 111.161 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 131.21 20.75 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 57.6 m-85 -142.72 152.2 42.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 30.4 p -90.74 172.47 8.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -69.61 -5.86 27.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -89.05 -70.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' ALA . 73.0 m-20 -59.16 -57.3 13.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -42.56 -57.79 2.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -61.21 -20.95 63.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.76 -16.62 24.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' ASP . 9.4 mt-30 -96.64 -63.68 1.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 2.2 m-85 -109.78 19.89 18.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -104.39 -33.52 3.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.6 p -57.51 147.13 27.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.358 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.64 -108.31 2.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -35.94 11.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.321 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -94.72 121.58 36.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.6 m -91.23 163.33 14.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.453 179.995 . . . . . . . . 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 1.451 -0.355 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -167.09 163.93 15.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.896 0.379 . . . . 0.0 110.849 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -153.61 164.29 38.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.15 -166.21 16.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -169.65 149.79 3.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.828 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.5 p -132.68 169.3 16.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' C ' ' HD2' ' A' ' 8' ' ' LYS . . . -105.18 169.74 16.87 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 7' ' ' GLY . 4.0 mptt -142.8 133.72 12.62 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -174.18 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.3 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.519 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -136.84 154.21 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.95 84.77 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 13' ' ' ARG . 40.4 mt -54.87 -60.24 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' ILE . 15.1 tpp180 34.42 48.14 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.2 -75.39 0.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 170.25 17.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.703 2.268 . . . . 0.0 112.321 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -119.41 126.99 52.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -93.63 142.84 26.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.508 ' HA ' HD11 ' A' ' 25' ' ' ILE . 49.1 t -54.01 130.06 36.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -81.98 17.46 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.47 -40.15 0.51 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.8 p -122.88 -2.3 8.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm 60.86 51.26 4.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -123.9 131.2 53.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -50.52 125.25 12.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.508 HD11 ' HA ' ' A' ' 18' ' ' CYS . 54.9 mt -96.03 70.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -96.22 -36.19 11.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' LYS . 3.2 m80 -37.05 -38.4 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 132.3 -67.74 0.56 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -47.43 139.5 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -162.39 156.23 21.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 tt -123.02 108.21 12.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.1 113.44 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -153.19 138.25 17.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 mp 50.29 43.92 26.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.4 t0 54.33 25.72 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -129.58 -177.96 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -125.34 116.54 22.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.501 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.8 m95 -121.93 155.45 35.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -75.93 164.81 25.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 40' ' ' VAL . 84.2 t -70.55 -11.24 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.6 p -124.81 20.41 8.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.8 m -123.88 -31.88 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -75.99 101.47 5.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -148.36 165.43 31.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.1 t -47.49 166.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.6 tp-100 -106.86 -15.08 14.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.4 m -99.23 -44.14 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.3 p -105.68 -21.93 13.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.7 p 68.07 45.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.7 p -98.01 134.75 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.519 HG22 HG23 ' A' ' 53' ' ' THR . 48.6 mm -55.94 120.3 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mt -105.45 107.88 19.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.96 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.519 HG23 HG22 ' A' ' 51' ' ' ILE . 80.7 p -122.5 -35.12 3.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.15 -81.37 1.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -120.52 149.33 42.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -167.14 165.47 15.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.445 HG21 ' CZ ' ' A' ' 69' ' ' TYR . 4.5 mt -128.92 134.07 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 p -101.07 130.87 47.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.561 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 4.7 tmtt? -130.04 132.92 46.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.414 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 44.1 t0 43.78 35.05 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.41 37.21 42.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.1 t -142.57 126.06 9.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.664 0.745 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 128.6 16.29 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.73 2.287 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 59.4 m-85 -135.9 155.97 49.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 26.4 p -90.76 168.31 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -67.29 -6.45 18.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.408 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 41.4 t -90.03 -71.41 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.837 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 72' ' ' GLN . 48.8 m-20 -56.09 -57.41 12.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.445 ' CZ ' HG21 ' A' ' 57' ' ' ILE . 25.0 t80 -44.07 -56.53 3.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -60.12 -20.74 59.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.98 -21.99 18.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.468 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 9.3 mt-30 -87.74 -62.09 1.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 4.3 m-85 -113.77 21.07 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -114.07 -39.31 1.06 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.1 t -70.98 164.16 26.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.22 116.84 0.68 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 114.51 3.73 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.313 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.0 t -65.36 -57.97 7.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 76.3 p -51.77 141.69 16.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.504 179.985 . . . . . . . . 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 -0.32 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -164.45 134.97 4.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -161.48 175.35 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.2 99.14 0.3 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t -171.23 125.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -134.02 151.15 51.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.55 88.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.89 143.2 27.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.571 0.701 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 157.4 60.48 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.381 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.2 tt -112.29 128.71 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -83.5 84.67 7.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.4 mt -83.37 103.76 11.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -110.01 138.28 46.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.17 -67.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 122.74 9.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.5 m -61.32 132.04 52.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -111.19 138.01 48.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.5 t -50.07 129.91 21.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.527 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.21 22.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.03 -45.37 0.16 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.2 p -113.11 -7.8 13.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm 62.06 49.08 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -126.35 129.92 49.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -45.86 124.91 5.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.441 HG12 ' NE2' ' A' ' 39' ' ' HIS . 88.4 mt -91.51 117.67 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -58.15 152.76 16.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -68.64 95.47 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 150.58 -77.62 0.23 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -74.49 97.81 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.402 ' HB3' HG21 ' A' ' 25' ' ' ILE . 57.4 p -153.28 166.27 33.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -135.82 119.61 17.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.89 127.58 32.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.951 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -167.55 132.02 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.526 ' CD2' ' C ' ' A' ' 61' ' ' GLY . 7.1 mp 53.47 42.48 31.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 54.73 25.95 7.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -129.15 174.83 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -119.9 116.58 26.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.527 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 1.4 m95 -123.17 155.23 37.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.441 ' NE2' HG12 ' A' ' 25' ' ' ILE . 28.0 m170 -74.88 165.58 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.0 t -68.64 -17.55 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.9 m -120.06 23.03 11.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 51.7 m -124.96 -32.8 2.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -72.26 85.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.416 ' HB2' ' C ' ' A' ' 50' ' ' VAL . 15.8 pttt -133.85 170.54 15.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.6 t -49.44 168.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.564 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.7 tp-100 -107.97 -18.33 13.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.5 m -97.47 -39.98 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.0 p -108.63 -21.5 12.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 m 64.63 54.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.416 ' C ' ' HB2' ' A' ' 44' ' ' LYS . 7.2 p -108.06 135.53 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.3 mm -54.38 121.69 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.0 mt -108.43 108.92 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.5 p -116.97 -47.65 2.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.01 -93.08 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -113.76 152.01 31.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.836 0.351 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -160.37 163.13 33.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.498 ' CG2' ' CE2' ' A' ' 69' ' ' TYR . 9.5 mt -120.48 137.01 55.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.8 p -107.08 126.99 53.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.535 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 5.2 tmtt? -125.9 134.11 51.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.468 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 6.6 t70 40.62 32.42 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.526 ' C ' ' CD2' ' A' ' 34' ' ' LEU . . . 79.19 36.5 27.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' LYS . 40.0 t -141.49 128.5 11.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.601 0.715 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 132.95 24.4 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.638 2.225 . . . . 0.0 112.339 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 62.3 m-85 -142.25 150.7 41.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 26.9 p -88.65 165.16 14.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -64.6 -5.96 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.424 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 23.0 t -90.24 -71.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' ALA . 84.9 m-20 -55.99 -57.13 13.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.498 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 14.6 t80 -44.37 -57.38 3.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -61.79 -17.25 55.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.89 -25.03 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -87.01 -64.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.535 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 23.1 m-85 -97.51 -22.09 16.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.71 -48.14 51.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.2 m -65.45 -61.13 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.932 0.396 . . . . 0.0 110.831 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -90.39 159.69 27.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 109.06 2.21 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.64 2.227 . . . . 0.0 112.391 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.2 t -44.09 145.56 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.8 t -92.24 -59.91 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.545 -179.957 . . . . . . . . 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 -0.355 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 p -174.38 126.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.92 0.39 . . . . 0.0 110.894 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -125.16 177.47 6.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.76 -169.09 23.55 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -143.07 133.17 24.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m -132.65 132.75 42.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.12 -165.1 12.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -91.56 138.64 25.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 10' ' ' ILE . 53.5 Cg_endo -69.74 -175.83 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.667 ' O ' HG23 ' A' ' 10' ' ' ILE . 11.0 tp 27.76 48.19 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.99 38.39 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.546 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.8 pp -114.56 29.35 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -54.52 139.68 37.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.65 -65.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.445 ' O ' ' CE1' ' A' ' 17' ' ' HIS . 54.0 Cg_endo -69.73 141.7 46.07 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.721 2.281 . . . . 0.0 112.349 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.3 m -63.38 124.73 22.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.445 ' CE1' ' O ' ' A' ' 15' ' ' PRO . 9.0 m80 -107.29 138.27 43.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.746 ' HA ' HD11 ' A' ' 25' ' ' ILE . 14.4 t -39.36 155.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.562 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -100.6 -3.55 30.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.35 -47.42 0.93 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.3 p -105.85 -11.38 16.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.922 0.392 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? 62.75 42.75 7.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -112.75 135.26 53.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -47.83 123.3 5.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.746 HD11 ' HA ' ' A' ' 18' ' ' CYS . 61.0 mt -98.88 86.99 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -85.29 -60.21 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -50.02 149.72 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.77 46.26 2.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -122.13 57.73 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.5 p -106.73 159.31 16.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 tt -121.88 112.19 18.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.55 123.07 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.513 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -169.67 130.96 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.072 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mp 57.44 42.42 24.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.5 t70 51.99 25.73 3.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -130.13 175.42 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -117.59 116.36 26.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.562 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 1.1 m95 -123.1 141.05 52.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.956 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -58.83 178.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 40' ' ' VAL . 98.3 t -80.59 -12.93 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.4 t -124.74 17.66 8.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.5 m -115.8 -32.1 5.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.513 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 12.1 t80 -73.89 91.44 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -140.97 170.33 15.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.7 t -52.21 167.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.577 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.2 tp-100 -108.24 -15.54 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 m -99.21 -38.98 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.487 ' SG ' HG12 ' A' ' 50' ' ' VAL . 31.3 p -110.73 -19.62 12.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.2 m 63.2 52.7 2.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.487 HG12 ' SG ' ' A' ' 48' ' ' CYS . 11.6 p -106.18 136.47 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.0 mm -55.81 120.69 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mt -108.02 102.3 11.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.0 p -113.41 -40.82 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.85 -87.84 0.54 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -111.88 157.8 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -171.93 161.42 5.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.9 mt -124.4 135.66 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.097 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.5 p -103.41 130.75 50.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 3.9 tmtt? -129.97 134.69 47.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.463 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 26.4 t70 40.02 32.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.82 36.71 28.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' LYS . 25.1 t -142.36 126.59 9.91 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 111.162 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 131.06 20.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 62.8 m-85 -139.57 152.44 46.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 26.8 p -88.17 169.65 11.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -69.12 -6.3 27.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.422 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 46.8 t -89.89 -71.54 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' GLN . 76.0 m-20 -56.92 -57.63 11.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -43.57 -56.88 3.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -61.21 -21.14 63.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.813 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -94.14 -19.13 21.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' ASP . 29.1 mt-30 -91.45 -63.8 1.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.1 m-85 -100.31 -19.99 16.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.84 -51.76 33.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.3 m -89.74 141.37 28.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 77' ' ' PRO . . . 156.77 -148.48 18.38 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.507 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 76' ' ' GLY . 53.3 Cg_endo -69.77 -172.71 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.27 . . . . 0.0 112.327 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -81.88 -40.2 22.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.3 t 72.82 42.14 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.483 -179.96 . . . . . . . . 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 1.452 -0.295 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.7 p -160.32 118.7 2.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.834 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -163.29 156.63 19.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.65 170.38 34.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -157.88 127.82 6.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -162.52 158.34 23.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.87 92.93 2.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -151.84 126.97 4.76 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.545 0.688 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 147.58 63.49 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.673 2.248 . . . . 0.0 112.397 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 10' ' ' ILE . 1.8 tp -106.92 120.36 58.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.05 73.79 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.421 HG13 ' CG1' ' A' ' 10' ' ' ILE . 70.4 mt -81.62 122.55 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.4 ptp85 -168.54 164.69 12.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.19 122.41 12.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -164.42 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.629 2.219 . . . . 0.0 112.365 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.8 m 60.1 45.31 11.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -66.31 142.69 57.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.629 ' HA ' HD11 ' A' ' 25' ' ' ILE . 43.3 t -46.7 130.52 11.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.574 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -83.48 22.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.56 -38.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -122.33 -4.92 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? 60.69 51.78 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -126.64 132.32 51.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -48.38 123.74 7.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.629 HD11 ' HA ' ' A' ' 18' ' ' CYS . 62.3 mt -93.86 128.53 45.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.154 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -51.0 166.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.46 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 8.5 p80 -83.46 44.86 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -164.07 -73.97 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -66.23 106.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -160.09 157.18 28.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tt -124.01 111.33 15.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.962 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.47 123.34 25.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -166.93 138.13 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mp 52.97 40.01 30.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 54.3 25.81 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -128.18 -179.25 4.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -124.33 116.29 22.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.574 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 2.5 m95 -123.23 158.75 30.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -77.23 174.59 10.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 40' ' ' VAL . 47.6 t -76.91 -12.65 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.6 t -125.95 20.23 7.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.9 m -119.81 -34.74 3.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -71.61 86.53 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -134.71 167.58 20.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.3 t -48.73 168.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.587 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 8.2 tp-100 -108.35 -19.33 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 m -96.43 -39.59 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.53 ' SG ' HG12 ' A' ' 50' ' ' VAL . 28.3 p -109.25 -21.54 12.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m 64.26 52.23 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.53 HG12 ' SG ' ' A' ' 48' ' ' CYS . 8.8 p -108.08 129.04 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.456 HG22 HG23 ' A' ' 53' ' ' THR . 30.4 mm -46.16 124.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.5 mt -108.32 109.76 21.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.456 HG23 HG22 ' A' ' 51' ' ' ILE . 68.3 p -124.9 -39.7 2.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -83.77 -87.17 0.83 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -108.79 137.55 46.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -155.96 151.09 26.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.6 mt -124.65 135.72 62.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.4 t -101.19 133.95 44.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.554 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 6.0 tmtm? -130.41 134.23 46.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t70 38.84 33.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.0 38.43 22.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' LYS . 42.3 t -143.44 126.6 8.99 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.598 0.713 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 129.21 17.21 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.587 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.6 m-85 -139.2 153.07 47.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 28.8 p -91.37 167.07 12.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.39 -5.81 8.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.414 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 7.9 t -89.3 -71.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' ALA . 78.6 m-20 -57.97 -59.04 5.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -44.15 -54.39 5.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -59.92 -22.44 62.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.74 -22.1 18.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' ASP . 8.0 mt-30 -90.49 -58.94 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.554 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 2.9 m-85 -113.54 21.05 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -127.28 7.8 7.1 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.9 m -141.57 166.13 25.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.93 0.395 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.4 ' HA2' ' HD2' ' A' ' 77' ' ' PRO . . . 155.29 93.34 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.456 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.4 ' HD2' ' HA2' ' A' ' 76' ' ' GLY . 53.7 Cg_endo -69.76 -1.34 8.31 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 0.0 112.391 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.4 m -53.45 172.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.4 m -78.97 86.66 4.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.539 179.985 . . . . . . . . 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 1.452 -0.297 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -97.38 42.4 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 t -122.65 156.13 34.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.88 73.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -113.84 141.57 47.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.875 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -117.9 148.51 42.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.17 67.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.445 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -173.81 153.37 2.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.536 0.684 . . . . 0.0 110.937 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 150.77 68.16 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.32 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.628 HG13 HG23 ' A' ' 12' ' ' ILE . 7.3 tp -105.03 118.89 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -89.51 66.86 7.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.679 ' O ' HD12 ' A' ' 12' ' ' ILE . 2.8 pp -118.24 35.27 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -55.17 -43.99 74.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.55 74.92 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 81.75 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.685 2.257 . . . . 0.0 112.302 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.7 p -125.14 40.85 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -59.19 141.29 54.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.7 t -56.56 133.18 53.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.64 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -82.12 18.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.95 -47.75 0.22 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.484 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.09 -2.87 13.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.391 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? 61.21 52.36 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -127.93 133.69 49.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -52.74 129.24 29.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.761 HG21 ' HB3' ' A' ' 30' ' ' SER . 76.0 mt -94.47 87.03 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -133.67 -40.18 0.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -76.28 -46.58 27.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.13 -149.38 25.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -110.94 -177.6 3.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.761 ' HB3' HG21 ' A' ' 25' ' ' ILE . 41.6 p -135.8 173.23 11.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 38' ' ' TRP . 3.8 tt -142.29 114.29 8.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.13 120.75 15.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -168.15 133.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.547 ' CD2' ' C ' ' A' ' 61' ' ' GLY . 6.4 mp 54.0 42.49 31.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 51.37 31.7 7.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -132.05 178.27 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -124.11 115.96 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.64 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -123.66 161.5 24.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.457 ' CD2' HG12 ' A' ' 25' ' ' ILE . 31.6 m170 -78.92 161.39 26.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 40' ' ' VAL . 59.3 t -67.46 -14.88 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.4 p -122.13 25.23 9.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 56.0 m -128.72 -32.97 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CD2' HD22 ' A' ' 31' ' ' LEU . 42.9 t80 -72.04 94.04 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HB2' ' C ' ' A' ' 50' ' ' VAL . 8.4 pttm -140.88 169.99 16.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.403 ' HB2' HG12 ' A' ' 50' ' ' VAL . 11.7 t -48.85 167.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.592 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.2 tp-100 -107.46 -17.67 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.408 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 83.8 m -98.29 -40.07 8.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 49' ' ' SER . 22.7 p -108.15 -21.14 12.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 48' ' ' CYS . 1.3 m 65.27 53.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.432 ' C ' ' HB2' ' A' ' 44' ' ' LYS . 7.1 p -109.63 137.52 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.0 mm -50.07 138.2 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.9 mt -125.33 105.91 9.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 t -133.54 -39.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.63 -53.29 4.38 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -151.54 146.35 25.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -166.18 168.97 14.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.52 ' CG2' ' CE2' ' A' ' 69' ' ' TYR . 7.6 mt -132.32 135.73 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.8 p -103.98 127.52 51.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 7.3 tmtt? -126.6 132.16 51.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER 42.95 32.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.547 ' C ' ' CD2' ' A' ' 34' ' ' LEU . . . 80.0 30.09 44.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.448 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 22.3 t -132.96 123.88 18.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.668 0.747 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 129.21 17.19 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 61.5 m-85 -138.61 160.02 40.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 32.1 p -98.29 164.16 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -63.22 -5.94 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -88.79 -71.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 72' ' ' GLN . 80.6 m-20 -60.41 -53.19 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.52 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 15.0 t80 -45.47 -58.86 3.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -61.25 -17.76 55.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.834 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.95 -23.23 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' ASP . 7.8 mt-30 -90.97 -62.71 1.39 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 0.7 OUTLIER -96.64 -22.84 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.86 -50.6 46.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.6 m -79.99 161.41 25.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.85 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -152.59 -151.71 5.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -178.2 2.24 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.324 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.3 m -97.22 80.86 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.1 t -135.18 149.91 50.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.47 -179.984 . . . . . . . . 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 -0.309 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 p -136.46 144.74 44.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 t -118.18 42.27 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.5 38.8 1.55 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -69.99 102.11 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.851 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -154.06 116.98 4.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.08 -173.79 16.69 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 pttp -168.65 111.38 0.54 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.57 0.7 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -177.29 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.733 2.289 . . . . 0.0 112.343 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 tt -135.89 151.75 29.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -100.43 84.59 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.4 mm -104.59 117.79 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 14' ' ' GLY . 10.2 ptp85 -109.06 -37.97 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.403 ' N ' ' HG3' ' A' ' 13' ' ' ARG . . . 95.02 66.68 1.0 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.549 ' HG2' ' CE1' ' A' ' 17' ' ' HIS . 53.5 Cg_endo -69.81 159.76 52.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.237 . . . . 0.0 112.315 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 p -91.37 130.89 37.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.549 ' CE1' ' HG2' ' A' ' 15' ' ' PRO . 22.8 m80 -125.28 146.74 49.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.567 ' HA ' HD11 ' A' ' 25' ' ' ILE . 52.9 t -57.67 130.82 48.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.483 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -81.33 16.44 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.73 -41.48 0.42 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.0 p -119.47 -0.36 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 56.84 49.36 14.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -125.18 132.16 53.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -48.4 127.94 13.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.567 HD11 ' HA ' ' A' ' 18' ' ' CYS . 13.3 mt -95.95 -27.39 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 25' ' ' ILE . 23.1 ttmt -34.72 145.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 64.02 40.19 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.63 -116.97 0.42 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.426 ' O ' ' CG2' ' A' ' 25' ' ' ILE . 65.1 mt-30 -149.66 139.88 22.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 110.902 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.438 ' OG ' HG21 ' A' ' 25' ' ' ILE . 1.1 m -122.56 166.91 14.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 tt -130.7 109.62 10.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.9 115.41 6.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.515 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -164.81 123.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 34' ' ' LEU . 6.5 mp 62.05 45.08 7.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 50.19 27.5 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -130.27 177.82 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -125.02 116.37 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.543 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -123.37 153.71 39.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.52 ' CD2' HG12 ' A' ' 25' ' ' ILE . 40.8 m170 -67.67 165.14 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 40' ' ' VAL . 43.8 t -72.92 -9.85 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 p -126.62 21.66 7.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.1 m -124.21 -30.51 3.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.515 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 34.1 t80 -72.85 96.67 2.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -144.98 170.13 16.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.2 t -52.01 167.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.586 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 11.2 tp-100 -107.39 -17.65 14.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.9 m -98.0 -42.58 7.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.49 ' SG ' HG12 ' A' ' 50' ' ' VAL . 28.5 p -105.6 -20.86 13.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m 64.33 50.15 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.49 HG12 ' SG ' ' A' ' 48' ' ' CYS . 7.7 p -105.54 136.59 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.28 122.68 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.3 mt -107.5 108.55 19.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.4 p -121.21 -36.76 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.32 -87.42 0.64 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -120.6 141.61 50.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.382 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -153.7 169.23 23.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.497 ' CG2' ' CE2' ' A' ' 69' ' ' TYR . 4.8 mt -129.1 134.65 63.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.3 p -102.08 131.36 48.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.596 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 11.7 tmtt? -126.56 131.53 51.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 38.48 31.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . 83.38 37.39 12.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.459 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' LYS . 58.7 t -141.71 125.53 9.99 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.599 0.714 . . . . 0.0 111.135 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.9 16.7 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.334 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.586 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.6 m-85 -139.04 150.24 45.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 28.4 p -87.39 167.66 13.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -66.57 -5.79 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.418 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 9.2 t -89.1 -71.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 72' ' ' GLN . 60.7 m-20 -57.9 -59.56 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.497 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 7.9 t80 -43.25 -58.72 2.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -56.71 -24.78 51.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.07 -17.66 22.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.511 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 10.6 mt-30 -88.66 -63.28 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.596 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 3.0 m-85 -110.9 -1.35 16.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.04 -38.24 11.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.3 m -119.59 167.73 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.844 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -95.11 148.34 18.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 0.08 6.15 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -109.74 162.81 14.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 96.0 p -142.59 177.2 8.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.507 179.959 . . . . . . . . 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 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -165.92 139.99 4.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 0.0 110.849 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.1 p -173.89 147.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.75 168.58 40.28 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -157.62 140.11 14.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -146.08 130.39 17.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.58 64.19 0.45 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -72.67 115.37 39.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 173.02 11.59 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.721 2.28 . . . . 0.0 112.313 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 pt -113.8 131.1 66.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -85.06 92.8 8.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.3 mt -86.85 -53.19 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -143.87 143.14 31.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.55 113.1 0.6 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -168.29 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.712 2.274 . . . . 0.0 112.319 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.3 m -78.41 142.2 37.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -124.39 150.81 45.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.3 t -58.15 129.07 40.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.88 15.54 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -120.24 -41.64 0.54 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 p -119.98 -3.37 10.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm 61.08 50.36 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -124.3 134.71 53.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -54.52 123.91 14.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.804 HG21 ' HB3' ' A' ' 30' ' ' SER . 62.5 mt -90.19 80.06 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -119.0 -58.51 1.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -72.69 -45.03 60.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.98 -154.96 8.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -115.67 -176.59 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.804 ' HB3' HG21 ' A' ' 25' ' ' ILE . 64.4 p -140.33 162.76 34.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 38' ' ' TRP . 5.0 tt -136.98 119.15 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.28 119.13 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.656 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -164.3 129.5 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp 54.29 47.34 23.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 49.17 26.56 1.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -127.43 -177.93 4.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -126.84 116.58 21.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.497 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.6 m95 -123.24 157.6 32.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.517 ' CD2' HG12 ' A' ' 25' ' ' ILE . 40.2 m170 -74.49 169.05 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 40' ' ' VAL . 45.3 t -74.42 -12.01 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.2 p -124.32 18.82 9.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.3 m -121.16 -31.28 4.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.656 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 10.4 t80 -72.97 83.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.22 163.23 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.0 t -44.09 165.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.583 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 11.4 tp-100 -105.04 -13.0 15.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 45.1 m -104.25 -43.47 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.2 p -104.15 -20.23 13.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.6 p 64.83 49.41 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 50' ' ' VAL . 5.1 p -106.98 129.79 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.5 mm -45.08 137.43 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.5 mt -124.06 108.57 12.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 t -132.87 -42.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.87 -61.7 2.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -140.09 148.74 42.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.352 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -168.3 170.87 9.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.422 ' HB ' ' CD2' ' A' ' 69' ' ' TYR . 3.0 mt -138.08 130.1 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 t -95.21 131.44 41.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 4.0 tmtt? -129.86 132.41 46.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.468 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 36.4 t0 44.18 31.51 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.3 31.65 41.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.452 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 21.5 t -136.41 129.51 17.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.616 0.722 . . . . 0.0 111.122 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 128.69 16.38 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.724 2.283 . . . . 0.0 112.32 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.583 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.7 m-85 -138.9 156.96 46.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.9 p -97.02 168.49 10.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -65.48 -5.47 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -88.32 -70.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' ALA . 58.5 m-20 -60.26 -56.24 23.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.422 ' CD2' ' HB ' ' A' ' 57' ' ' ILE . 17.3 t80 -43.02 -57.6 2.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -65.59 -16.88 64.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.94 -16.55 23.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' ASP . 25.2 mt-30 -96.89 -63.03 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 8.0 m-85 -100.73 -19.59 15.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.3 -47.13 91.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.0 p -42.77 -39.67 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.87 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.409 ' HA2' ' HD2' ' A' ' 77' ' ' PRO . . . -147.58 100.78 0.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.409 ' HD2' ' HA2' ' A' ' 76' ' ' GLY . 53.5 Cg_endo -69.76 -179.18 2.74 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' SER . 13.9 t -139.78 117.03 11.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' SER . 1.2 t 37.75 42.9 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.493 179.974 . . . . . . . . 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 -0.325 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -155.46 140.07 16.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 110.868 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 t -161.34 145.88 13.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.62 72.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -119.31 167.3 12.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -152.39 173.15 15.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.38 78.76 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.441 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 12.3 mtpp -113.31 103.09 55.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 8' ' ' LYS . 53.9 Cg_endo -69.79 137.63 35.81 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 11' ' ' LYS . 4.2 tp -84.52 143.35 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -101.68 70.72 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.9 pt -139.1 154.02 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.435 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 2.8 mpt_? -90.6 171.98 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.42 60.16 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.435 ' HD3' ' C ' ' A' ' 13' ' ' ARG . 53.9 Cg_endo -69.73 -175.7 1.24 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.718 2.279 . . . . 0.0 112.286 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.8 p -82.77 134.31 35.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -125.11 145.0 50.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.526 ' HA ' HD11 ' A' ' 25' ' ' ILE . 42.4 t -58.55 130.36 46.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.447 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -82.49 21.13 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.48 -42.6 0.26 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.9 p -120.02 -0.09 10.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.903 0.382 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt 58.53 52.01 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -123.72 132.19 53.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -50.79 125.52 13.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' A' ' 18' ' ' CYS . 75.9 mt -95.93 77.56 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.527 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 35.4 ttmt -102.9 70.21 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 5.8 m80 -174.28 160.32 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.5 43.41 2.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -134.04 42.13 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.318 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 99.7 p -92.6 160.05 15.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 tt -128.97 104.53 7.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.8 124.07 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.419 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -166.06 128.21 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.064 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp 58.97 42.82 18.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 54.04 27.58 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -131.34 177.34 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -124.32 116.47 22.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.548 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -123.5 159.53 28.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -78.66 169.04 18.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.7 t -71.6 -20.37 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 p -116.17 21.1 13.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.6 m -123.21 -35.02 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 15.9 t80 -71.45 95.86 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -144.87 167.88 21.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.0 t -50.47 166.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.2 tp-100 -106.9 -15.85 14.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.1 m -99.09 -43.44 6.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.444 ' SG ' HG12 ' A' ' 50' ' ' VAL . 24.9 p -105.66 -20.11 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 m 63.96 54.8 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.444 HG12 ' SG ' ' A' ' 48' ' ' CYS . 7.4 p -110.95 133.05 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.515 HG22 HG23 ' A' ' 53' ' ' THR . 33.3 mm -47.29 128.35 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.6 mt -112.84 99.2 7.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.515 HG23 HG22 ' A' ' 51' ' ' ILE . 70.3 p -117.9 -43.61 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.31 -74.35 0.99 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -124.5 154.23 40.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.381 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -169.84 157.03 6.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.544 HG21 ' CZ ' ' A' ' 69' ' ' TYR . 7.3 mt -126.67 134.69 65.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.4 p -100.67 130.07 46.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.561 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 3.2 tmtt? -130.49 132.15 45.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.952 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.486 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 37.7 t70 40.59 39.83 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.04 37.57 60.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.404 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 21.3 t -142.95 122.46 7.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 130.25 19.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.23 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 64.6 m-85 -137.19 161.13 37.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 32.0 p -96.82 165.19 12.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.6 -5.78 4.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -88.97 -71.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 71' ' ' ALA . 57.7 m-20 -59.03 -58.17 9.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.544 ' CZ ' HG21 ' A' ' 57' ' ' ILE . 15.2 t80 -43.51 -55.88 3.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -57.34 -23.78 51.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.77 -21.95 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 7.2 mt-30 -87.74 -61.48 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 5.8 m-85 -114.65 21.79 14.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -115.53 -37.41 1.09 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 76' ' ' GLY . 74.6 m -38.56 -46.48 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.388 . . . . 0.0 110.869 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 75' ' ' SER . . . 34.44 -124.24 0.49 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 98.11 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.702 2.268 . . . . 0.0 112.375 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -51.8 155.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 85.0 p -126.88 84.54 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.477 -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 -0.346 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -108.25 145.21 34.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -168.21 149.14 4.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.0 111.22 0.24 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -152.39 115.04 4.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.373 . . . . 0.0 110.884 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.6 p -126.38 177.21 6.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.16 73.38 0.93 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -97.53 151.27 37.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 121.22 7.92 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.71 2.273 . . . . 0.0 112.345 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.9 pt -59.13 -179.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.86 86.09 6.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.3 mt -87.21 91.86 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -54.55 -56.03 23.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.53 124.32 5.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.557 ' O ' ' CE1' ' A' ' 17' ' ' HIS . 53.3 Cg_endo -69.82 -167.9 0.25 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.287 . . . . 0.0 112.317 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 p -78.39 127.55 32.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.557 ' CE1' ' O ' ' A' ' 15' ' ' PRO . 10.6 m80 -125.71 140.92 52.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.471 ' HA ' HD11 ' A' ' 25' ' ' ILE . 49.3 t -53.24 133.17 39.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.46 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -82.14 18.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.37 -41.32 0.36 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -122.47 1.78 9.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp 55.6 49.23 16.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -120.77 136.17 54.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -51.65 123.55 10.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.471 HD11 ' HA ' ' A' ' 18' ' ' CYS . 91.7 mt -92.43 139.84 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -83.74 169.43 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -90.51 103.81 16.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.64 -47.14 0.91 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -108.24 83.69 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.917 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.8 p -146.23 164.55 31.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tt -127.57 112.74 15.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.02 125.89 30.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.459 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -163.64 134.81 4.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 34' ' ' LEU . 7.3 mp 51.36 43.83 29.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 54.17 26.42 6.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -127.79 -179.3 4.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -125.68 116.02 21.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.499 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 1.2 m95 -123.52 150.26 44.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -68.44 171.43 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 40' ' ' VAL . 56.8 t -75.5 -14.77 15.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.5 p -120.49 17.36 12.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.7 m -118.38 -39.05 3.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.459 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 9.5 t80 -65.02 86.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.09 164.14 28.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.0 t -49.53 167.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.589 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.1 tp-100 -108.09 -15.0 14.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.439 ' CG2' ' CG ' ' A' ' 68' ' ' ASP . 3.4 m -99.21 -41.77 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.478 ' SG ' HG12 ' A' ' 50' ' ' VAL . 27.6 p -109.29 -20.33 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 p 67.48 46.36 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.478 HG12 ' SG ' ' A' ' 48' ' ' CYS . 8.4 p -105.19 128.95 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.3 mm -43.82 137.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.0 mt -123.67 107.21 11.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 t -132.74 -39.06 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.04 -62.72 2.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -140.2 143.82 36.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -168.45 159.56 10.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 mt -126.09 135.96 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.6 t -98.03 134.08 41.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 3.6 tmtt? -130.31 135.55 48.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' LYS . 16.3 t70 38.52 32.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.14 37.93 23.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 59' ' ' LYS . 37.7 t -142.96 127.79 9.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.622 0.725 . . . . 0.0 111.109 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 130.42 19.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.589 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.1 m-85 -140.98 149.8 42.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 67' ' ' SER . 25.8 p -84.71 170.16 13.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -68.62 -6.58 26.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.421 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . 38.8 m -90.48 -70.71 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.439 ' CG ' ' CG2' ' A' ' 47' ' ' THR . 75.4 m-20 -55.92 -59.12 5.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -43.79 -55.66 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' SER . 16.5 m80 -58.87 -22.79 59.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.77 -21.79 19.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.494 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 29.4 mt-30 -88.35 -59.93 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 6.4 m-85 -116.18 21.14 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -117.34 -38.96 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 70' ' ' HIS . 13.0 t -117.31 -52.63 2.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -39.66 155.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 90.13 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.238 . . . . 0.0 112.374 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -115.23 88.49 2.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.7 m -94.83 149.05 21.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.492 -179.982 . . . . . . . . 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 -0.341 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -151.45 156.44 40.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 110.835 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 p -131.54 148.86 52.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.74 -146.19 7.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.2 p -115.28 155.18 27.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 110.873 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -165.05 138.15 4.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.95 129.12 9.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -133.08 115.14 14.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.552 0.692 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 141.14 44.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.401 ' H ' HD13 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -83.13 166.2 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -95.51 89.42 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.3 mm -59.61 -45.58 94.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -158.2 126.97 5.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.44 75.18 0.42 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 162.81 40.65 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.2 t -63.25 140.86 58.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -111.18 146.56 36.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.595 ' HA ' HD11 ' A' ' 25' ' ' ILE . 52.8 t -55.42 131.34 45.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.431 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.72 18.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.05 -41.11 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.38 -1.61 10.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? 57.15 52.95 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -128.83 132.47 47.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -46.24 126.24 7.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.953 HG21 ' HB2' ' A' ' 30' ' ' SER . 42.5 mt -92.95 88.89 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -127.95 -60.23 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.551 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 6.1 p80 -70.46 81.7 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.25 -111.94 0.96 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -171.76 173.17 4.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.953 ' HB2' HG21 ' A' ' 25' ' ' ILE . 43.6 t -123.19 -176.16 3.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 38' ' ' TRP . 3.0 tt -135.18 117.08 15.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.78 114.25 6.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -161.42 127.28 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 mp 61.5 41.24 12.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.3 t0 52.79 26.18 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -127.97 176.27 7.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -121.18 116.1 24.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.505 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 1.1 m95 -123.48 152.73 41.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.587 ' CD2' HG12 ' A' ' 25' ' ' ILE . 38.2 m170 -69.18 162.95 26.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 40' ' ' VAL . 45.0 t -70.67 -10.32 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 p -125.79 21.29 7.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.5 m -124.65 -31.14 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.407 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 39.3 t80 -71.97 99.91 2.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -147.86 170.22 18.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.8 t -51.4 167.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.578 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.8 tp-100 -108.69 -18.0 13.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.2 m -97.85 -37.69 9.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.2 p -111.37 -20.91 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m 64.53 55.0 1.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -110.71 136.06 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.47 HG22 HG23 ' A' ' 53' ' ' THR . 44.4 mm -54.8 123.49 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.0 mt -110.25 104.68 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.47 HG23 HG22 ' A' ' 51' ' ' ILE . 74.4 p -118.21 -40.63 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.186 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.51 -83.96 0.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -116.34 148.32 40.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.928 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -165.93 158.04 14.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.458 ' CG2' ' CE2' ' A' ' 69' ' ' TYR . 3.7 mt -125.23 136.09 61.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.9 p -102.4 134.39 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.561 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 5.7 tmtm? -129.67 137.82 50.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.466 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 19.6 t0 39.92 26.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . 84.41 36.85 11.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 22.9 t -141.43 130.64 12.56 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 111.093 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 129.4 17.58 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.65 2.233 . . . . 0.0 112.403 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 63.2 m-85 -139.56 152.93 47.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.7 p -88.8 170.6 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -68.54 -7.58 33.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.0 m -90.48 -71.41 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -55.61 -55.66 29.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.458 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 10.2 t80 -47.32 -53.72 12.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -60.91 -21.75 63.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.98 -20.33 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.526 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 5.3 mt-30 -89.8 -60.06 2.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.6 m-85 -116.58 21.25 13.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -115.02 -36.03 1.28 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.3 p -65.81 -28.61 69.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.929 0.395 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.39 -151.75 16.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -178.17 2.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.26 . . . . 0.0 112.36 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.3 p -146.21 170.46 16.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.8 m -130.16 41.13 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.497 179.996 . . . . . . . . 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 -0.337 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m -144.37 117.22 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 110.894 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -120.75 157.11 30.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.1 -146.2 18.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.465 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.0 m 44.59 42.22 5.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.893 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -116.22 133.86 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.67 94.16 1.75 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -141.47 124.91 9.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 124.08 10.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.23 . . . . 0.0 112.365 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.447 ' O ' HD12 ' A' ' 12' ' ' ILE . 17.0 pt -111.91 160.79 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -83.85 105.06 14.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.447 HD12 ' O ' ' A' ' 10' ' ' ILE . 5.1 mp -83.79 84.96 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.8 ttm-85 -144.83 146.63 32.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.75 108.64 0.98 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 89.18 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.1 m -115.0 42.06 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.813 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -69.56 143.76 53.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -52.3 128.56 25.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.45 17.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.29 -39.67 0.5 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -122.16 -3.78 9.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? 61.59 53.31 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -126.95 132.9 50.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -54.54 123.77 14.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.879 HG21 ' HB3' ' A' ' 30' ' ' SER . 29.9 mt -91.49 86.65 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -130.62 -50.01 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -85.71 56.75 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.98 -125.45 1.27 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.42 166.53 31.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.879 ' HB3' HG21 ' A' ' 25' ' ' ILE . 55.4 p -126.34 -179.51 4.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 38' ' ' TRP . 4.5 tt -139.11 118.4 12.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.78 121.31 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.519 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -167.02 137.98 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.053 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 34' ' ' LEU . 6.1 mp 49.96 40.26 20.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.1 t0 54.91 26.6 8.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -129.01 176.09 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -120.43 115.91 24.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.516 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -123.65 153.62 40.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.585 ' CD2' HG12 ' A' ' 25' ' ' ILE . 38.7 m170 -68.65 168.9 12.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 40' ' ' VAL . 53.9 t -74.58 -11.63 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.1 m -124.9 18.53 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.9 m -120.09 -32.08 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.519 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 10.7 t80 -71.99 81.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 161.75 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.3 t -44.21 167.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.59 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 8.1 tp-100 -106.53 -14.6 15.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.8 m -103.88 -38.39 7.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.414 ' SG ' HG12 ' A' ' 50' ' ' VAL . 22.6 p -110.01 -18.35 13.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.4 p 61.43 48.65 5.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 50' ' ' VAL . 5.5 p -105.62 121.19 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.2 mm -38.94 136.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.0 mt -123.27 106.68 10.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.27 -39.86 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.52 -78.88 0.91 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.49 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -120.96 151.66 39.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -172.61 163.94 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.8 mt -129.77 136.75 58.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 96.4 p -101.29 133.05 46.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.557 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 1.5 tmtt? -130.46 133.27 46.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.474 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 38.3 t70 39.57 37.63 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.44 38.08 45.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.437 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 26.1 t -142.71 125.84 9.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.719 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 128.28 15.85 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.59 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.4 m-85 -137.86 153.34 49.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 31.5 p -92.58 165.56 12.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -63.65 -6.04 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -88.57 -71.07 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 72' ' ' GLN . 81.7 m-20 -59.16 -56.89 16.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -42.85 -58.85 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -62.06 -18.87 62.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.95 -18.67 21.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' ASP . 29.0 mt-30 -94.51 -64.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.557 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 7.7 m-85 -97.93 -21.42 16.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.28 -47.46 90.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.449 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 77.5 p -91.26 75.54 6.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -97.61 -161.92 31.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 81.73 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.713 2.275 . . . . 0.0 112.329 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.5 t -68.86 -54.49 15.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.7 p -100.16 137.15 39.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.504 -179.97 . . . . . . . . 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 -0.324 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -152.1 178.39 9.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 p -172.03 150.66 2.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.88 -161.23 23.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -130.26 170.31 14.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -171.54 172.24 5.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.46 112.3 0.39 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -139.12 143.77 38.1 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.531 0.681 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 97.16 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.465 HG23 HG13 ' A' ' 12' ' ' ILE . 5.6 tt -38.65 -32.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.8 ttmt 70.77 53.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.465 HG13 HG23 ' A' ' 10' ' ' ILE . 81.6 mt -76.24 -59.67 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -69.73 176.14 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.92 61.18 1.05 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.596 ' O ' ' CD2' ' A' ' 17' ' ' HIS . 54.0 Cg_endo -69.74 175.17 8.44 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.669 2.246 . . . . 0.0 112.298 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.5 m -50.34 122.77 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 15' ' ' PRO . 5.3 m80 -107.15 153.25 22.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.8 ' HA ' HD11 ' A' ' 25' ' ' ILE . 34.5 t -60.04 148.26 36.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.621 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -94.98 8.21 43.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -117.28 -49.13 0.41 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.477 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -108.15 -8.69 15.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 61.96 45.39 7.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -123.87 129.9 51.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -37.42 130.31 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.8 HD11 ' HA ' ' A' ' 18' ' ' CYS . 57.1 mt -98.67 -2.81 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -78.71 45.0 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -133.83 -40.39 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.84 -94.05 1.26 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.52 165.02 26.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.811 0.339 . . . . 0.0 110.914 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 p -130.86 157.39 43.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -132.14 114.76 14.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.73 123.63 23.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.48 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -166.27 123.63 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.486 HD12 ' N ' ' A' ' 34' ' ' LEU . 6.1 mp 61.21 48.67 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 2.7 p30 48.17 25.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -129.37 174.02 10.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.413 ' HB3' HD12 ' A' ' 25' ' ' ILE . 28.5 mt-30 -119.08 116.45 26.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.621 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 1.3 m95 -123.07 153.8 39.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.561 ' CD2' HG12 ' A' ' 25' ' ' ILE . 31.5 m170 -69.72 175.58 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 40' ' ' VAL . 58.8 t -77.8 -13.23 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -125.28 18.56 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.0 m -118.21 -29.24 5.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.48 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 24.9 t80 -75.37 79.11 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 167.88 17.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 64' ' ' TYR . 14.1 t -47.43 167.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.564 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.6 tp-100 -107.85 -14.8 14.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 97.1 m -101.56 -37.86 8.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.9 p -110.98 -20.28 12.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 m 64.18 52.37 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.808 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.401 HG12 ' HB2' ' A' ' 45' ' ' CYS . 9.5 p -106.98 137.03 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.1 mm -54.49 128.99 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.6 mt -117.22 108.57 15.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.2 p -122.23 -32.14 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.72 -90.32 1.33 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -108.49 146.33 33.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.824 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -165.24 156.6 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.402 ' CG2' ' CE2' ' A' ' 69' ' ' TYR . 3.5 mt -120.78 135.15 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.3 p -108.1 132.46 53.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.579 ' HE2' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -129.94 131.54 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.522 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 28.9 t70 45.36 33.65 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.55 27.84 56.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.435 HG11 ' OH ' ' A' ' 64' ' ' TYR . 22.6 t -129.4 122.92 21.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 111.137 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 130.82 20.04 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 61.3 m-85 -140.09 155.1 47.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.1 p -91.27 175.87 6.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -74.33 -7.1 51.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.7 m -90.86 -71.61 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -55.12 -57.7 10.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.402 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 12.0 t80 -44.52 -56.85 3.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -62.04 -19.06 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.72 -18.57 21.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' ASP . 10.1 mt-30 -99.11 -62.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CE2' ' HE2' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -96.72 -20.83 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.84 -45.77 93.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.6 m 63.57 41.85 6.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 110.884 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.42 ' HA2' ' HD2' ' A' ' 77' ' ' PRO . . . -123.95 112.54 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.42 ' HD2' ' HA2' ' A' ' 76' ' ' GLY . 54.2 Cg_endo -69.77 178.78 4.23 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.371 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.5 t -145.56 150.78 37.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 75.6 p 40.34 41.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.494 -179.966 . . . . . . . . 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 1.451 -0.342 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -161.75 129.34 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.368 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -169.28 143.11 2.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.21 176.21 23.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 t -165.77 154.04 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -109.16 170.56 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.71 148.29 4.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.1 pttt -170.66 153.25 4.09 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.566 0.698 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 166.01 29.05 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.768 ' O ' HD12 ' A' ' 10' ' ' ILE . 1.2 pp -84.63 162.65 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -119.07 53.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 pp -128.82 17.46 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -158.04 123.35 4.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 134.62 76.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.411 ' O ' ' CE1' ' A' ' 17' ' ' HIS . 53.7 Cg_endo -69.76 -170.28 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.395 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.2 m -48.43 123.08 6.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.411 ' CE1' ' O ' ' A' ' 15' ' ' PRO . 16.4 m80 -111.03 157.68 19.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.895 ' HA ' HD11 ' A' ' 25' ' ' ILE . 51.4 t -64.57 131.52 47.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.585 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -83.34 22.61 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.06 -40.6 0.28 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.3 p -121.43 -3.59 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt 62.38 42.96 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -115.44 138.06 51.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -51.16 125.69 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.895 HD11 ' HA ' ' A' ' 18' ' ' CYS . 64.9 mt -96.84 128.96 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -79.75 164.11 23.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -80.9 109.75 15.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 133.84 -44.16 1.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -107.99 84.65 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.4 p -149.83 151.39 33.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tt -122.6 108.74 13.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.11 132.79 44.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.461 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -169.27 138.28 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp 49.52 45.35 24.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 52.0 28.23 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -129.13 178.89 6.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -125.06 115.69 20.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.585 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -124.04 159.46 29.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -75.48 167.03 22.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.495 ' O ' HG12 ' A' ' 40' ' ' VAL . 97.5 t -72.35 -10.62 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.2 p -126.88 21.67 6.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.0 m -123.65 -31.63 3.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.461 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 17.9 t80 -72.88 81.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.0 166.76 20.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.409 ' HB2' HG12 ' A' ' 50' ' ' VAL . 15.4 t -45.73 167.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.533 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.8 tp-100 -108.04 -17.84 13.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 50.0 m -96.43 -40.28 9.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.6 p -108.8 -24.33 11.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 t 70.88 53.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.409 HG12 ' HB2' ' A' ' 45' ' ' CYS . 8.0 p -111.22 137.15 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.0 mm -48.81 137.64 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.4 mt -125.71 106.97 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 t -131.95 -39.54 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.35 -69.07 1.42 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -131.41 135.22 46.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.875 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -158.61 157.03 31.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.2 mt -124.14 133.51 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.5 p -96.38 132.31 42.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -131.12 131.88 44.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.468 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 39.3 t0 39.56 37.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.47 36.7 43.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.45 HG11 ' HG2' ' A' ' 46' ' ' GLN . 21.7 t -142.92 123.5 8.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.661 0.744 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 126.98 13.96 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.709 2.272 . . . . 0.0 112.346 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.533 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 63.6 m-85 -132.27 159.68 38.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 28.9 p -95.04 165.09 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -64.93 -5.5 6.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.41 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 8.1 t -89.69 -71.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -57.79 -58.49 8.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -43.99 -56.85 3.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -55.8 -23.08 28.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.59 -22.37 18.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.54 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 6.0 mt-30 -85.68 -62.45 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.54 ' CD1' ' HB3' ' A' ' 72' ' ' GLN . 3.7 m-85 -115.03 20.93 14.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -114.31 -35.34 1.47 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.0 t -142.76 125.02 15.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.948 0.404 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.95 97.8 0.11 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.446 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.39 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.303 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 t -102.28 150.22 23.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.2 m -161.79 177.26 10.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.817 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.508 -179.982 . . . . . . . . 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 1.451 -0.362 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -170.74 116.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -146.53 166.03 27.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.19 152.64 12.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -171.37 129.79 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 p -158.01 162.57 38.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.5 137.08 2.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.85 113.77 4.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.553 0.692 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 173.66 10.67 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.318 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.498 ' CG1' HG12 ' A' ' 12' ' ' ILE . 10.7 tp -105.54 150.57 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' CD ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -120.76 50.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.866 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.498 HG12 ' CG1' ' A' ' 10' ' ' ILE . 10.7 pt -101.5 153.15 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -171.23 105.92 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.478 ' O ' ' CD2' ' A' ' 17' ' ' HIS . . . -153.51 83.73 0.16 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -165.9 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 0.0 112.322 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 p 45.79 53.68 8.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.478 ' CD2' ' O ' ' A' ' 14' ' ' GLY . 5.7 m80 -70.7 135.35 48.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.579 ' HA ' HD11 ' A' ' 25' ' ' ILE . 15.2 t -41.38 156.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.529 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -100.64 -7.11 24.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.79 -42.69 1.52 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.463 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -109.14 -10.66 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt 59.56 50.05 7.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -128.33 132.02 48.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -40.48 129.82 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.579 HD11 ' HA ' ' A' ' 18' ' ' CYS . 60.7 mt -97.97 135.81 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -66.91 100.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.816 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -38.47 107.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.1 -36.9 1.83 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.448 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -121.03 66.78 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.01 148.03 43.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.524 HD13 ' CB ' ' A' ' 43' ' ' PHE . 5.2 tt -103.67 105.36 15.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.67 126.54 30.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -170.7 128.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.063 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp 60.21 42.06 15.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.5 t0 54.84 25.57 6.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -131.19 174.7 9.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -122.09 117.69 26.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.598 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.5 OUTLIER -123.14 147.29 46.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.444 ' NE2' HG12 ' A' ' 25' ' ' ILE . 30.0 m170 -66.08 172.66 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.83 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.488 ' O ' HG12 ' A' ' 40' ' ' VAL . 92.7 t -76.42 -10.94 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.4 p -123.17 16.95 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.5 m -118.15 -36.48 3.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.524 ' CB ' HD13 ' A' ' 31' ' ' LEU . 15.9 t80 -69.79 105.93 2.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -153.57 168.38 26.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.5 t -50.45 167.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.589 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.9 tp-100 -107.3 -19.51 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.401 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 59.1 m -96.85 -42.29 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.04 -21.58 13.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m 63.43 54.94 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.0 p -109.16 136.3 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.588 HG22 HG23 ' A' ' 53' ' ' THR . 36.7 mm -54.32 120.86 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 mt -105.68 103.33 12.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.588 HG23 HG22 ' A' ' 51' ' ' ILE . 69.4 p -115.91 -39.59 3.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.84 -84.51 0.77 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -114.67 157.45 23.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -169.19 158.84 8.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.528 ' HB ' ' CD2' ' A' ' 69' ' ' TYR . 3.2 mt -128.52 128.01 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.182 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.9 p -96.56 131.12 43.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 62' ' ' VAL . 7.7 tmtm? -131.02 132.79 45.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER 42.8 37.47 1.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.61 29.53 61.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.548 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 4.0 t -134.91 121.21 14.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.569 0.7 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 125.96 12.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.589 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 66.7 m-85 -132.91 159.53 39.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 30.3 p -94.4 172.87 7.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -69.94 -5.86 29.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.6 t -90.02 -71.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' ALA . 80.4 m-20 -57.94 -55.99 27.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.528 ' CD2' ' HB ' ' A' ' 57' ' ' ILE . 6.9 t80 -44.51 -53.97 6.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -68.12 -16.53 64.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -94.02 -16.86 23.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -98.12 -64.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.416 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.8 m-85 -105.23 20.87 18.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -108.03 -33.75 2.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.543 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.3 t -117.25 153.25 33.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.31 -68.9 1.44 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.534 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 178.66 4.35 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.332 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t -151.8 178.74 9.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.4 p -161.28 122.55 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.488 179.99 . . . . . . . . 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' ' ' HIS . . . . . . . . . . . . . 9.9 m80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.834 0.349 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.3 t -53.35 128.51 28.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.65 16.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.43 -37.4 0.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -123.93 -5.23 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.3 mptt 62.96 49.2 3.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 38' ' ' TRP . 3.7 tt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.883 0.373 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.433 ' N ' HD23 ' A' ' 31' ' ' LEU . 4.4 mm? -71.31 121.57 18.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -169.45 123.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mp 61.55 44.47 9.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 51.34 26.09 2.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -129.16 175.99 8.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -123.07 116.24 23.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.527 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -123.36 153.84 39.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -69.6 170.05 11.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.4 ' O ' HG12 ' A' ' 40' ' ' VAL . 33.4 t -76.05 -12.67 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.8 p -122.98 17.33 10.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.1 m -118.74 -33.55 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.524 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 9.2 t80 -71.62 106.22 3.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -153.48 165.85 34.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.7 t -48.76 167.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.581 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.0 tp-100 -106.61 -15.73 14.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.7 m -101.42 -40.89 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.469 ' SG ' HG12 ' A' ' 50' ' ' VAL . 23.7 p -107.26 -19.56 13.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.2 p 62.48 52.94 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.469 HG12 ' SG ' ' A' ' 48' ' ' CYS . 10.0 p -109.81 129.62 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.1 mm -48.55 126.93 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.0 mt -109.75 110.38 21.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.8 p -126.25 -43.15 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -74.91 -72.45 1.04 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -134.68 152.08 51.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.844 0.354 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -166.57 161.42 15.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.488 ' HB ' ' CD2' ' A' ' 69' ' ' TYR . 2.2 mt -127.23 130.58 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.3 p -98.0 133.21 42.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.571 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 2.4 tmtt? -130.47 137.84 49.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.463 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 36.6 t70 41.12 29.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.95 35.83 23.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.451 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 12.7 t -140.18 127.34 12.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 0.0 111.16 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.2 15.69 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.627 2.218 . . . . 0.0 112.363 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.5 m-85 -137.33 155.35 49.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 31.1 p -93.97 165.74 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -64.2 -5.92 5.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 t -87.96 -70.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' GLN . 68.8 m-20 -59.88 -57.61 12.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.488 ' CD2' ' HB ' ' A' ' 57' ' ' ILE . 11.3 t80 -42.39 -57.23 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -61.56 -21.31 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.62 -18.5 22.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' ASP . 20.8 mt-30 -88.18 -61.75 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 14.9 m-85 -107.81 -14.76 14.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.4 m80 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.5 t -53.11 129.97 32.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.4 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.96 17.49 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.09 -38.47 0.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 p -124.43 -2.38 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.377 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 60.27 53.06 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.928 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.52 126.81 31.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.618 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -168.73 124.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.55 HD23 ' HA2' ' A' ' 61' ' ' GLY . 6.6 mp 57.34 49.89 12.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 49.26 25.61 1.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -127.42 -179.61 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -127.31 116.15 20.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.489 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -123.77 143.99 49.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -64.59 171.48 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.48 ' O ' HG12 ' A' ' 40' ' ' VAL . 88.7 t -75.72 -11.85 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 p -124.07 18.09 9.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.6 m -119.78 -34.57 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.618 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 5.5 t80 -69.89 97.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.26 164.66 30.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.6 t -49.55 166.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.546 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.9 tp-100 -107.34 -18.11 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.1 m -96.14 -42.93 7.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.5 p -105.51 -24.4 12.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t 70.72 49.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.8 p -107.27 134.99 47.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.6 mm -51.66 128.95 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.4 mt -114.72 101.31 8.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.7 p -122.26 -34.44 3.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -84.16 -83.46 0.96 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -122.26 139.26 54.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -159.85 167.91 27.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.67 136.54 56.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.1 p -100.86 132.67 46.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.529 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 6.3 tmtm? -128.42 133.44 48.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.416 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 6.5 t70 44.11 26.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.55 ' HA2' HD23 ' A' ' 34' ' ' LEU . . . 84.89 34.61 14.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.425 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 28.3 t -139.85 131.36 14.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 111.175 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 130.45 19.36 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.546 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 57.6 m-85 -141.46 147.17 37.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.81 164.5 17.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -62.45 -6.79 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -87.63 -70.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.424 ' HB3' ' NE2' ' A' ' 72' ' ' GLN . 68.3 m-20 -58.72 -57.46 12.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -44.43 -53.69 6.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -61.18 -22.0 64.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.73 -18.55 21.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.495 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 5.8 mt-30 -90.61 -58.7 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.529 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.2 m-85 -117.85 20.23 13.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.443 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.0 m170 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.831 0.348 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.6 t -48.53 137.61 11.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.714 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -81.88 16.12 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.067 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.02 -49.48 0.19 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -110.79 -2.76 16.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 59.45 41.84 18.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 38' ' ' TRP . 2.5 tt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.842 0.353 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.405 ' HA ' HD13 ' A' ' 32' ' ' LEU . 4.0 mm? -80.53 132.94 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.592 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -172.09 133.69 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.608 HD23 ' HA2' ' A' ' 61' ' ' GLY . 6.8 mp 54.48 38.97 30.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.67 25.49 13.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm -126.85 178.4 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -123.12 116.35 23.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.714 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 1.3 m95 -123.17 146.06 48.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -68.91 171.3 8.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 40' ' ' VAL . 89.1 t -74.03 -15.31 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.1 p -120.83 19.59 11.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.8 m -122.1 -33.19 3.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.592 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 10.7 t80 -71.84 100.15 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -149.97 170.37 19.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.0 t -52.9 167.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.588 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.9 tp-100 -107.77 -15.45 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.7 m -99.29 -42.59 6.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.451 ' SG ' HG12 ' A' ' 50' ' ' VAL . 27.8 p -107.36 -19.29 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 m 63.95 49.37 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.451 HG12 ' SG ' ' A' ' 48' ' ' CYS . 7.3 p -103.68 135.34 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.9 mm -55.78 127.11 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.3 mt -115.16 102.22 9.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.6 p -109.75 -42.13 4.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.59 -84.74 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.06 167.64 17.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -173.26 174.91 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.483 HG21 ' CZ ' ' A' ' 69' ' ' TYR . 3.6 mt -125.71 132.2 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.6 p -99.73 129.0 45.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.419 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 7.7 tmtt? -129.63 133.0 46.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.6 t0 41.99 34.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.608 ' HA2' HD23 ' A' ' 34' ' ' LEU . . . 75.66 36.87 41.67 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.475 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.444 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 21.5 t -143.31 126.92 9.22 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.66 0.743 . . . . 0.0 111.11 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.55 19.53 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.667 2.244 . . . . 0.0 112.418 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 64.4 m-85 -138.69 147.44 42.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 67' ' ' SER . 26.0 p -82.5 170.92 14.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -69.89 -6.28 31.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.424 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . 5.5 m -90.22 -71.19 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 72' ' ' GLN . 69.4 m-20 -56.33 -58.37 8.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.483 ' CZ ' HG21 ' A' ' 57' ' ' ILE . 12.7 t80 -43.99 -55.73 4.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -60.34 -21.19 61.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.91 -22.02 18.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.445 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.3 mt-30 -87.98 -60.99 1.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 72' ' ' GLN . 4.1 m-85 -113.82 20.84 15.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 m80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.861 0.362 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.2 t -63.57 131.83 49.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.533 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.96 19.97 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.72 -37.51 0.44 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p -127.12 3.8 6.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt 53.08 53.01 12.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.917 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.893 0.377 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 32' ' ' LEU . 4.4 mm? -74.74 121.51 21.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.514 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -165.74 134.29 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.609 HD23 ' HA2' ' A' ' 61' ' ' GLY . 6.5 mp 53.85 43.52 30.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 t0 52.21 25.97 3.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -128.9 179.66 5.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -125.67 116.3 21.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.546 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -123.32 157.4 33.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -73.81 169.37 17.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -72.56 -19.27 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.1 p -116.81 19.71 14.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.8 m -122.02 -34.28 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.514 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 23.2 t80 -71.17 99.33 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -150.25 172.4 15.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.1 t -54.47 166.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.6 tp-100 -108.15 -16.83 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 m -98.89 -39.43 8.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.489 ' SG ' HG12 ' A' ' 50' ' ' VAL . 23.8 p -109.28 -20.76 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 m 63.79 54.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.489 HG12 ' SG ' ' A' ' 48' ' ' CYS . 8.1 p -111.01 134.79 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.5 mm -54.17 124.2 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.1 mt -110.84 111.49 22.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.4 p -126.38 -41.76 1.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.93 -78.92 0.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -119.77 146.6 45.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -166.4 166.43 16.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 mt -132.21 136.88 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.8 p -105.77 128.44 53.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.492 ' HD2' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -126.78 135.83 51.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.6 t70 41.82 28.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.609 ' HA2' HD23 ' A' ' 34' ' ' LEU . . . 82.53 35.07 20.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' LYS . 33.3 t -140.17 129.3 13.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.578 0.704 . . . . 0.0 111.145 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 132.1 22.59 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.4 m-85 -143.38 144.47 32.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.3 p -84.6 165.46 17.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -63.1 -6.74 4.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.6 t -88.24 -70.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' GLN . 81.0 m-20 -58.39 -58.59 7.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -43.12 -57.02 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -58.06 -24.36 58.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -94.0 -18.0 22.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 68' ' ' ASP . 5.8 mt-30 -95.75 -62.04 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.492 ' CE2' ' HD2' ' A' ' 59' ' ' LYS . 2.0 m-85 -110.94 21.39 16.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.9 m80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.9 t -52.05 132.12 32.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.601 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -83.2 23.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.93 -43.4 0.18 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.9 p -117.63 -2.29 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.937 0.398 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 60.34 44.69 12.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.939 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.7 130.01 39.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.966 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -173.27 130.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 34' ' ' LEU . 7.1 mp 57.66 43.56 22.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 51.9 28.05 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -129.51 175.65 8.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -125.23 116.2 21.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.601 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -123.61 160.87 26.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -78.38 171.53 14.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.89 -18.2 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.7 p -119.61 20.8 12.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.6 m -122.62 -30.67 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -74.38 88.48 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.79 166.41 24.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.1 t -47.72 166.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.8 tp-100 -108.52 -16.23 14.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.5 m -99.89 -37.15 9.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.485 ' SG ' HG12 ' A' ' 50' ' ' VAL . 22.3 p -112.93 -20.61 11.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.1 t 64.34 54.92 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.485 HG12 ' SG ' ' A' ' 48' ' ' CYS . 8.9 p -113.09 125.7 70.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.497 HG22 HG23 ' A' ' 53' ' ' THR . 50.1 mm -41.5 131.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.0 mt -116.42 99.36 7.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.497 HG23 HG22 ' A' ' 51' ' ' ILE . 81.2 p -113.72 -43.57 3.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.14 -89.13 0.38 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.53 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.5 mp0 -110.88 145.27 38.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.37 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -162.76 155.49 19.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.6 mt -123.81 138.74 52.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.6 p -104.15 132.23 50.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.558 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 4.7 tmtt? -126.92 133.36 50.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t0 41.72 26.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . 85.78 38.31 8.82 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.451 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.402 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 43.2 t -143.5 130.96 10.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.731 . . . . 0.0 111.103 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 130.39 19.23 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.226 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.3 m-85 -141.03 150.15 42.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.0 p -89.07 164.53 15.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -63.17 -6.43 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.3 t -88.27 -70.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' GLN . 82.4 m-20 -58.35 -58.69 7.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -42.96 -58.35 2.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -57.78 -21.96 44.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.76 -21.06 19.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.466 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.2 mt-30 -90.74 -59.79 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 6.9 m-85 -115.23 21.57 14.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.9 m80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.9 t -61.45 131.08 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.519 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -84.25 20.56 1.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.73 -36.06 0.46 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 p -123.3 -4.55 8.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.957 0.408 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mptt 61.03 50.47 5.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.911 0.386 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -74.97 130.05 38.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -171.89 137.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp 52.3 41.4 30.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.1 t70 54.22 27.03 7.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -130.39 176.37 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -122.64 116.2 23.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.556 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -123.42 158.49 31.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -78.39 167.35 21.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 t -70.34 -20.02 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 p -115.37 18.96 15.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.3 m -122.54 -32.62 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -72.73 99.17 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -148.93 171.28 16.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.5 t -52.43 166.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.577 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.5 tp-100 -107.56 -15.36 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.1 m -100.48 -40.44 7.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.6 p -108.19 -20.18 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 m 63.61 53.86 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -109.62 137.6 41.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.1 mm -55.27 128.33 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 mt -115.0 107.6 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.3 p -124.34 -36.64 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.47 -73.28 1.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -130.71 150.19 52.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -163.76 164.31 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.2 mt -132.24 131.95 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.8 p -100.1 133.03 45.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.478 ' HD3' ' N ' ' A' ' 60' ' ' ASP . 1.8 tmtt? -129.44 132.26 46.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.478 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 27.5 t70 43.94 33.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.4 37.13 32.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.481 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 20.7 t -141.74 128.29 11.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 111.161 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 131.21 20.75 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 57.6 m-85 -142.72 152.2 42.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 30.4 p -90.74 172.47 8.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -69.61 -5.86 27.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -89.05 -70.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' ALA . 73.0 m-20 -59.16 -57.3 13.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -42.56 -57.79 2.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -61.21 -20.95 63.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.76 -16.62 24.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' ASP . 9.4 mt-30 -96.64 -63.68 1.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 2.2 m-85 -109.78 19.89 18.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.3 m80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.857 0.361 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.1 t -54.01 130.06 36.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -81.98 17.46 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.47 -40.15 0.51 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.8 p -122.88 -2.3 8.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm 60.86 51.26 4.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.919 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 tt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.858 0.361 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.1 113.44 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -153.19 138.25 17.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 mp 50.29 43.92 26.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.4 t0 54.33 25.72 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -129.58 -177.96 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -125.34 116.54 22.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.501 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.8 m95 -121.93 155.45 35.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -75.93 164.81 25.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 40' ' ' VAL . 84.2 t -70.55 -11.24 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.6 p -124.81 20.41 8.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.8 m -123.88 -31.88 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -75.99 101.47 5.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -148.36 165.43 31.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.1 t -47.49 166.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.6 tp-100 -106.86 -15.08 14.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.4 m -99.23 -44.14 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.3 p -105.68 -21.93 13.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.7 p 68.07 45.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.7 p -98.01 134.75 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.519 HG22 HG23 ' A' ' 53' ' ' THR . 48.6 mm -55.94 120.3 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mt -105.45 107.88 19.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.96 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.519 HG23 HG22 ' A' ' 51' ' ' ILE . 80.7 p -122.5 -35.12 3.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.15 -81.37 1.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -120.52 149.33 42.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -167.14 165.47 15.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.445 HG21 ' CZ ' ' A' ' 69' ' ' TYR . 4.5 mt -128.92 134.07 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 p -101.07 130.87 47.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.561 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 4.7 tmtt? -130.04 132.92 46.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.414 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 44.1 t0 43.78 35.05 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.41 37.21 42.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.1 t -142.57 126.06 9.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.664 0.745 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 128.6 16.29 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.73 2.287 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 59.4 m-85 -135.9 155.97 49.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 26.4 p -90.76 168.31 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -67.29 -6.45 18.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.408 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 41.4 t -90.03 -71.41 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.837 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 72' ' ' GLN . 48.8 m-20 -56.09 -57.41 12.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.445 ' CZ ' HG21 ' A' ' 57' ' ' ILE . 25.0 t80 -44.07 -56.53 3.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -60.12 -20.74 59.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.98 -21.99 18.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.468 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 9.3 mt-30 -87.74 -62.09 1.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 4.3 m-85 -113.77 21.07 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.4 m80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.809 0.337 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.5 t -50.07 129.91 21.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.527 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.21 22.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.03 -45.37 0.16 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.2 p -113.11 -7.8 13.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm 62.06 49.08 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.89 127.58 32.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.951 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -167.55 132.02 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.526 ' CD2' ' C ' ' A' ' 61' ' ' GLY . 7.1 mp 53.47 42.48 31.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 54.73 25.95 7.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -129.15 174.83 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -119.9 116.58 26.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.527 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 1.4 m95 -123.17 155.23 37.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.408 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 28.0 m170 -74.88 165.58 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.0 t -68.64 -17.55 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.9 m -120.06 23.03 11.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 51.7 m -124.96 -32.8 2.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -72.26 85.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.416 ' HB2' ' C ' ' A' ' 50' ' ' VAL . 15.8 pttt -133.85 170.54 15.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.6 t -49.44 168.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.564 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.7 tp-100 -107.97 -18.33 13.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.5 m -97.47 -39.98 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.0 p -108.63 -21.5 12.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 m 64.63 54.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.416 ' C ' ' HB2' ' A' ' 44' ' ' LYS . 7.2 p -108.06 135.53 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.3 mm -54.38 121.69 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.0 mt -108.43 108.92 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.5 p -116.97 -47.65 2.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.01 -93.08 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -113.76 152.01 31.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.836 0.351 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -160.37 163.13 33.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.498 ' CG2' ' CE2' ' A' ' 69' ' ' TYR . 9.5 mt -120.48 137.01 55.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.8 p -107.08 126.99 53.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.535 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 5.2 tmtt? -125.9 134.11 51.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.468 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 6.6 t70 40.62 32.42 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.526 ' C ' ' CD2' ' A' ' 34' ' ' LEU . . . 79.19 36.5 27.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' LYS . 40.0 t -141.49 128.5 11.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.601 0.715 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 132.95 24.4 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.638 2.225 . . . . 0.0 112.339 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 62.3 m-85 -142.25 150.7 41.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 26.9 p -88.65 165.16 14.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -64.6 -5.96 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.424 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 23.0 t -90.24 -71.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' ALA . 84.9 m-20 -55.99 -57.13 13.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.498 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 14.6 t80 -44.37 -57.38 3.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -61.79 -17.25 55.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.89 -25.03 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -87.01 -64.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.535 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 23.1 m-85 -97.51 -22.09 16.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.479 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.0 m80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 t -39.36 155.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.562 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -100.6 -3.55 30.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.35 -47.42 0.93 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.3 p -105.85 -11.38 16.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.922 0.392 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? 62.75 42.75 7.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 tt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.91 0.385 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.55 123.07 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.513 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -169.67 130.96 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.072 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mp 57.44 42.42 24.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.5 t70 51.99 25.73 3.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -130.13 175.42 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -117.59 116.36 26.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.562 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 1.1 m95 -123.1 141.05 52.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.956 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -58.83 178.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 40' ' ' VAL . 98.3 t -80.59 -12.93 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.4 t -124.74 17.66 8.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.5 m -115.8 -32.1 5.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.513 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 12.1 t80 -73.89 91.44 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -140.97 170.33 15.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.7 t -52.21 167.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.577 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.2 tp-100 -108.24 -15.54 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 m -99.21 -38.98 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.487 ' SG ' HG12 ' A' ' 50' ' ' VAL . 31.3 p -110.73 -19.62 12.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.2 m 63.2 52.7 2.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.487 HG12 ' SG ' ' A' ' 48' ' ' CYS . 11.6 p -106.18 136.47 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.0 mm -55.81 120.69 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mt -108.02 102.3 11.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.0 p -113.41 -40.82 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.85 -87.84 0.54 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -111.88 157.8 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -171.93 161.42 5.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.9 mt -124.4 135.66 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.097 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.5 p -103.41 130.75 50.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 3.9 tmtt? -129.97 134.69 47.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.463 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 26.4 t70 40.02 32.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.82 36.71 28.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' LYS . 25.1 t -142.36 126.59 9.91 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 111.162 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 131.06 20.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 62.8 m-85 -139.57 152.44 46.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 26.8 p -88.17 169.65 11.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -69.12 -6.3 27.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.422 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 46.8 t -89.89 -71.54 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' GLN . 76.0 m-20 -56.92 -57.63 11.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -43.57 -56.88 3.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -61.21 -21.14 63.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.813 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -94.14 -19.13 21.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' ASP . 6.5 mt-30 -91.45 -63.8 1.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.1 m-85 -100.31 -19.99 16.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 m80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.3 t -46.7 130.52 11.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.574 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -83.48 22.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.56 -38.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -122.33 -4.92 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? 60.69 51.78 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.867 0.365 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.47 123.34 25.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -166.93 138.13 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mp 52.97 40.01 30.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 54.3 25.81 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -128.18 -179.25 4.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -124.33 116.29 22.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.574 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 2.5 m95 -123.23 158.75 30.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -77.23 174.59 10.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 40' ' ' VAL . 47.6 t -76.91 -12.65 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.6 t -125.95 20.23 7.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.9 m -119.81 -34.74 3.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -71.61 86.53 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -134.71 167.58 20.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.3 t -48.73 168.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.587 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 8.2 tp-100 -108.35 -19.33 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 m -96.43 -39.59 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.53 ' SG ' HG12 ' A' ' 50' ' ' VAL . 28.3 p -109.25 -21.54 12.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m 64.26 52.23 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.53 HG12 ' SG ' ' A' ' 48' ' ' CYS . 8.8 p -108.08 129.04 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.456 HG22 HG23 ' A' ' 53' ' ' THR . 30.4 mm -46.16 124.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.5 mt -108.32 109.76 21.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.456 HG23 HG22 ' A' ' 51' ' ' ILE . 68.3 p -124.9 -39.7 2.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -83.77 -87.17 0.83 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -108.79 137.55 46.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -155.96 151.09 26.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.6 mt -124.65 135.72 62.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.4 t -101.19 133.95 44.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.554 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 6.0 tmtm? -130.41 134.23 46.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t70 38.84 33.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.0 38.43 22.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' LYS . 42.3 t -143.44 126.6 8.99 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.598 0.713 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 129.21 17.21 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.587 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.6 m-85 -139.2 153.07 47.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 28.8 p -91.37 167.07 12.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.39 -5.81 8.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.414 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 7.9 t -89.3 -71.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' ALA . 78.6 m-20 -57.97 -59.04 5.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -44.15 -54.39 5.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -59.92 -22.44 62.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.74 -22.1 18.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' ASP . 8.0 mt-30 -90.49 -58.94 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.554 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 2.9 m-85 -113.54 21.05 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.9 m80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.7 t -56.56 133.18 53.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.64 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -82.12 18.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.95 -47.75 0.22 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.484 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.09 -2.87 13.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.391 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? 61.21 52.36 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 38' ' ' TRP . 3.8 tt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.792 0.33 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.13 120.75 15.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -168.15 133.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.547 ' CD2' ' C ' ' A' ' 61' ' ' GLY . 6.4 mp 54.0 42.49 31.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 51.37 31.7 7.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -132.05 178.27 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -124.11 115.96 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.64 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -123.66 161.5 24.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.401 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 31.6 m170 -78.92 161.39 26.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 40' ' ' VAL . 59.3 t -67.46 -14.88 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.4 p -122.13 25.23 9.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 56.0 m -128.72 -32.97 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CD2' HD22 ' A' ' 31' ' ' LEU . 42.9 t80 -72.04 94.04 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HB2' ' C ' ' A' ' 50' ' ' VAL . 8.4 pttm -140.88 169.99 16.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.403 ' HB2' HG12 ' A' ' 50' ' ' VAL . 11.7 t -48.85 167.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.592 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.2 tp-100 -107.46 -17.67 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.408 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 83.8 m -98.29 -40.07 8.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 49' ' ' SER . 22.7 p -108.15 -21.14 12.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 48' ' ' CYS . 1.3 m 65.27 53.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.432 ' C ' ' HB2' ' A' ' 44' ' ' LYS . 7.1 p -109.63 137.52 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.0 mm -50.07 138.2 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.9 mt -125.33 105.91 9.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 t -133.54 -39.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.63 -53.29 4.38 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -151.54 146.35 25.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -166.18 168.97 14.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.52 ' CG2' ' CE2' ' A' ' 69' ' ' TYR . 7.6 mt -132.32 135.73 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.8 p -103.98 127.52 51.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 7.3 tmtt? -126.6 132.16 51.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER 42.95 32.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.547 ' C ' ' CD2' ' A' ' 34' ' ' LEU . . . 80.0 30.09 44.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.448 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 22.3 t -132.96 123.88 18.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.668 0.747 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 129.21 17.19 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 61.5 m-85 -138.61 160.02 40.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 32.1 p -98.29 164.16 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -63.22 -5.94 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -88.79 -71.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 72' ' ' GLN . 80.6 m-20 -60.41 -53.19 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.52 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 15.0 t80 -45.47 -58.86 3.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -61.25 -17.76 55.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.834 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.95 -23.23 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' ASP . 7.8 mt-30 -90.97 -62.71 1.39 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 0.7 OUTLIER -96.64 -22.84 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.8 m80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.9 t -57.67 130.82 48.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.483 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -81.33 16.44 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.73 -41.48 0.42 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.0 p -119.47 -0.36 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 56.84 49.36 14.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 tt . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.9 115.41 6.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.515 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -164.81 123.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 34' ' ' LEU . 6.5 mp 62.05 45.08 7.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 50.19 27.5 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -130.27 177.82 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -125.02 116.37 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.543 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -123.37 153.71 39.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -67.67 165.14 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 40' ' ' VAL . 43.8 t -72.92 -9.85 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 p -126.62 21.66 7.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.1 m -124.21 -30.51 3.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.515 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 34.1 t80 -72.85 96.67 2.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -144.98 170.13 16.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.2 t -52.01 167.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.586 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 11.2 tp-100 -107.39 -17.65 14.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.9 m -98.0 -42.58 7.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.49 ' SG ' HG12 ' A' ' 50' ' ' VAL . 28.5 p -105.6 -20.86 13.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m 64.33 50.15 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.49 HG12 ' SG ' ' A' ' 48' ' ' CYS . 7.7 p -105.54 136.59 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.28 122.68 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.3 mt -107.5 108.55 19.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.4 p -121.21 -36.76 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.32 -87.42 0.64 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -120.6 141.61 50.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.382 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -153.7 169.23 23.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.497 ' CG2' ' CE2' ' A' ' 69' ' ' TYR . 4.8 mt -129.1 134.65 63.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.3 p -102.08 131.36 48.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.596 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 11.7 tmtt? -126.56 131.53 51.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 38.48 31.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . 83.38 37.39 12.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.459 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' LYS . 58.7 t -141.71 125.53 9.99 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.599 0.714 . . . . 0.0 111.135 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.9 16.7 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.334 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.586 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.6 m-85 -139.04 150.24 45.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 28.4 p -87.39 167.66 13.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -66.57 -5.79 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.418 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 9.2 t -89.1 -71.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 72' ' ' GLN . 60.7 m-20 -57.9 -59.56 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.497 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 7.9 t80 -43.25 -58.72 2.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -56.71 -24.78 51.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.07 -17.66 22.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.511 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 10.6 mt-30 -88.66 -63.28 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.596 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 3.0 m-85 -110.9 -1.35 16.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 -179.921 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.8 m80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.822 0.344 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.3 t -58.15 129.07 40.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.88 15.54 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -120.24 -41.64 0.54 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 p -119.98 -3.37 10.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm 61.08 50.36 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 38' ' ' TRP . 5.0 tt . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.28 119.13 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.656 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -164.3 129.5 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp 54.29 47.34 23.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 49.17 26.56 1.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -127.43 -177.93 4.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -126.84 116.58 21.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.497 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.6 m95 -123.24 157.6 32.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -74.49 169.05 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 40' ' ' VAL . 45.3 t -74.42 -12.01 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.2 p -124.32 18.82 9.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.3 m -121.16 -31.28 4.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.656 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 10.4 t80 -72.97 83.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.22 163.23 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.0 t -44.09 165.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.583 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 11.4 tp-100 -105.04 -13.0 15.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 45.1 m -104.25 -43.47 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.2 p -104.15 -20.23 13.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.6 p 64.83 49.41 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 50' ' ' VAL . 5.1 p -106.98 129.79 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.5 mm -45.08 137.43 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.5 mt -124.06 108.57 12.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 t -132.87 -42.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.87 -61.7 2.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -140.09 148.74 42.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.352 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -168.3 170.87 9.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.422 ' HB ' ' CD2' ' A' ' 69' ' ' TYR . 3.0 mt -138.08 130.1 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 t -95.21 131.44 41.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 4.0 tmtt? -129.86 132.41 46.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.468 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 36.4 t0 44.18 31.51 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.3 31.65 41.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.452 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 21.5 t -136.41 129.51 17.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.616 0.722 . . . . 0.0 111.122 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 128.69 16.38 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.724 2.283 . . . . 0.0 112.32 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.583 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.7 m-85 -138.9 156.96 46.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.9 p -97.02 168.49 10.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -65.48 -5.47 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -88.32 -70.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' ALA . 58.5 m-20 -60.26 -56.24 23.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.422 ' CD2' ' HB ' ' A' ' 57' ' ' ILE . 17.3 t80 -43.02 -57.6 2.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -65.59 -16.88 64.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.94 -16.55 23.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' ASP . 9.2 mt-30 -96.89 -63.03 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 8.0 m-85 -100.73 -19.59 15.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 m80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.838 0.351 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -58.55 130.36 46.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.447 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -82.49 21.13 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.48 -42.6 0.26 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.9 p -120.02 -0.09 10.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.903 0.382 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt 58.53 52.01 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 tt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.853 0.359 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.8 124.07 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.419 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -166.06 128.21 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.064 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp 58.97 42.82 18.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 54.04 27.58 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -131.34 177.34 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -124.32 116.47 22.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.548 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -123.5 159.53 28.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -78.66 169.04 18.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.7 t -71.6 -20.37 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 p -116.17 21.1 13.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.6 m -123.21 -35.02 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 15.9 t80 -71.45 95.86 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -144.87 167.88 21.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.0 t -50.47 166.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.2 tp-100 -106.9 -15.85 14.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.1 m -99.09 -43.44 6.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.444 ' SG ' HG12 ' A' ' 50' ' ' VAL . 24.9 p -105.66 -20.11 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 m 63.96 54.8 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.444 HG12 ' SG ' ' A' ' 48' ' ' CYS . 7.4 p -110.95 133.05 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.515 HG22 HG23 ' A' ' 53' ' ' THR . 33.3 mm -47.29 128.35 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.6 mt -112.84 99.2 7.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.515 HG23 HG22 ' A' ' 51' ' ' ILE . 70.3 p -117.9 -43.61 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.31 -74.35 0.99 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -124.5 154.23 40.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.381 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -169.84 157.03 6.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.544 HG21 ' CZ ' ' A' ' 69' ' ' TYR . 7.3 mt -126.67 134.69 65.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.4 p -100.67 130.07 46.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.561 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 3.2 tmtt? -130.49 132.15 45.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.952 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.486 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 37.7 t70 40.59 39.83 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.04 37.57 60.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.404 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 21.3 t -142.95 122.46 7.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 130.25 19.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.23 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 64.6 m-85 -137.19 161.13 37.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 32.0 p -96.82 165.19 12.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.6 -5.78 4.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -88.97 -71.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 71' ' ' ALA . 57.7 m-20 -59.03 -58.17 9.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.544 ' CZ ' HG21 ' A' ' 57' ' ' ILE . 15.2 t80 -43.51 -55.88 3.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -57.34 -23.78 51.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.77 -21.95 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 7.2 mt-30 -87.74 -61.48 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 5.8 m-85 -114.65 21.79 14.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.6 m80 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.839 0.352 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.3 t -53.24 133.17 39.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.46 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -82.14 18.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.37 -41.32 0.36 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -122.47 1.78 9.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp 55.6 49.23 16.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.833 0.349 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.02 125.89 30.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.459 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -163.64 134.81 4.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 34' ' ' LEU . 7.3 mp 51.36 43.83 29.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 54.17 26.42 6.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -127.79 -179.3 4.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -125.68 116.02 21.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.499 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.2 m95 -123.52 150.26 44.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -68.44 171.43 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.412 ' O ' HG12 ' A' ' 40' ' ' VAL . 56.8 t -75.5 -14.77 15.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.5 p -120.49 17.36 12.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.7 m -118.38 -39.05 3.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.459 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 9.5 t80 -65.02 86.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.09 164.14 28.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.0 t -49.53 167.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.589 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.1 tp-100 -108.09 -15.0 14.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.439 ' CG2' ' CG ' ' A' ' 68' ' ' ASP . 3.4 m -99.21 -41.77 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.478 ' SG ' HG12 ' A' ' 50' ' ' VAL . 27.6 p -109.29 -20.33 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 p 67.48 46.36 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.478 HG12 ' SG ' ' A' ' 48' ' ' CYS . 8.4 p -105.19 128.95 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.3 mm -43.82 137.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.0 mt -123.67 107.21 11.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 t -132.74 -39.06 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.04 -62.72 2.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -140.2 143.82 36.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -168.45 159.56 10.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 mt -126.09 135.96 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.6 t -98.03 134.08 41.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 3.6 tmtt? -130.31 135.55 48.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' LYS . 16.3 t70 38.52 32.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.14 37.93 23.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 59' ' ' LYS . 37.7 t -142.96 127.79 9.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.622 0.725 . . . . 0.0 111.109 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 130.42 19.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.589 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.1 m-85 -140.98 149.8 42.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 67' ' ' SER . 25.8 p -84.71 170.16 13.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -68.62 -6.58 26.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.421 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . 38.8 m -90.48 -70.71 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.439 ' CG ' ' CG2' ' A' ' 47' ' ' THR . 75.4 m-20 -55.92 -59.12 5.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -43.79 -55.66 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -58.87 -22.79 59.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.77 -21.79 19.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.494 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 13.0 mt-30 -88.35 -59.93 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 6.4 m-85 -116.18 21.14 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.0 m80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.848 0.356 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.42 131.34 45.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.431 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.72 18.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.05 -41.11 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.38 -1.61 10.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? 57.15 52.95 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 38' ' ' TRP . 3.0 tt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.78 114.25 6.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.407 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -161.42 127.28 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 mp 61.5 41.24 12.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.3 t0 52.79 26.18 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -127.97 176.27 7.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -121.18 116.1 24.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.505 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 1.1 m95 -123.48 152.73 41.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -69.18 162.95 26.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 40' ' ' VAL . 45.0 t -70.67 -10.32 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 p -125.79 21.29 7.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.5 m -124.65 -31.14 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.407 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 39.3 t80 -71.97 99.91 2.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -147.86 170.22 18.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.8 t -51.4 167.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.578 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.8 tp-100 -108.69 -18.0 13.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.2 m -97.85 -37.69 9.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.2 p -111.37 -20.91 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m 64.53 55.0 1.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -110.71 136.06 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.47 HG22 HG23 ' A' ' 53' ' ' THR . 44.4 mm -54.8 123.49 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.0 mt -110.25 104.68 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.47 HG23 HG22 ' A' ' 51' ' ' ILE . 74.4 p -118.21 -40.63 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.186 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.51 -83.96 0.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -116.34 148.32 40.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.928 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -165.93 158.04 14.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.458 ' CG2' ' CE2' ' A' ' 69' ' ' TYR . 3.7 mt -125.23 136.09 61.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.9 p -102.4 134.39 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.561 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 5.7 tmtm? -129.67 137.82 50.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.466 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 19.6 t0 39.92 26.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . 84.41 36.85 11.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 22.9 t -141.43 130.64 12.56 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 111.093 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 129.4 17.58 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.65 2.233 . . . . 0.0 112.403 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 63.2 m-85 -139.56 152.93 47.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.7 p -88.8 170.6 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -68.54 -7.58 33.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.0 m -90.48 -71.41 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -55.61 -55.66 29.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.458 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 10.2 t80 -47.32 -53.72 12.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -60.91 -21.75 63.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.98 -20.33 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.526 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 5.3 mt-30 -89.8 -60.06 2.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.6 m-85 -116.58 21.25 13.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.6 m80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.815 0.34 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -52.3 128.56 25.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.45 17.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.29 -39.67 0.5 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -122.16 -3.78 9.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? 61.59 53.31 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 38' ' ' TRP . 4.5 tt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.855 0.36 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.78 121.31 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.519 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -167.02 137.98 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.053 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 34' ' ' LEU . 6.1 mp 49.96 40.26 20.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.1 t0 54.91 26.6 8.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -129.01 176.09 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -120.43 115.91 24.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.516 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -123.65 153.62 40.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -68.65 168.9 12.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 40' ' ' VAL . 53.9 t -74.58 -11.63 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.1 m -124.9 18.53 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.9 m -120.09 -32.08 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.519 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 10.7 t80 -71.99 81.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 161.75 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.3 t -44.21 167.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.59 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 8.1 tp-100 -106.53 -14.6 15.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.8 m -103.88 -38.39 7.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.414 ' SG ' HG12 ' A' ' 50' ' ' VAL . 22.6 p -110.01 -18.35 13.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.4 p 61.43 48.65 5.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 50' ' ' VAL . 5.5 p -105.62 121.19 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.2 mm -38.94 136.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.0 mt -123.27 106.68 10.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.27 -39.86 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.52 -78.88 0.91 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.49 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -120.96 151.66 39.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -172.61 163.94 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.8 mt -129.77 136.75 58.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 96.4 p -101.29 133.05 46.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.557 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 1.5 tmtt? -130.46 133.27 46.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.474 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 38.3 t70 39.57 37.63 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.44 38.08 45.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.437 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 26.1 t -142.71 125.84 9.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.719 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 128.28 15.85 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.59 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.4 m-85 -137.86 153.34 49.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 31.5 p -92.58 165.56 12.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -63.65 -6.04 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -88.57 -71.07 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 72' ' ' GLN . 81.7 m-20 -59.16 -56.89 16.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -42.85 -58.85 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -62.06 -18.87 62.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.95 -18.67 21.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' ASP . 12.3 mt-30 -94.51 -64.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.557 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 7.7 m-85 -97.93 -21.42 16.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.449 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.3 m80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.833 0.349 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.5 t -60.04 148.26 36.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.621 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -94.98 8.21 43.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -117.28 -49.13 0.41 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.477 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -108.15 -8.69 15.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 61.96 45.39 7.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.863 0.363 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.73 123.63 23.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.48 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -166.27 123.63 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.486 HD12 ' N ' ' A' ' 34' ' ' LEU . 6.1 mp 61.21 48.67 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 2.7 p30 48.17 25.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -129.37 174.02 10.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -119.08 116.45 26.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.621 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 1.3 m95 -123.07 153.8 39.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -69.72 175.58 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 40' ' ' VAL . 58.8 t -77.8 -13.23 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -125.28 18.56 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.0 m -118.21 -29.24 5.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.48 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 24.9 t80 -75.37 79.11 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 167.88 17.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 64' ' ' TYR . 14.1 t -47.43 167.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.564 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.6 tp-100 -107.85 -14.8 14.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 97.1 m -101.56 -37.86 8.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.4 ' HG ' ' CB ' ' A' ' 45' ' ' CYS . 28.9 p -110.98 -20.28 12.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 m 64.18 52.37 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.808 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.401 HG12 ' HB2' ' A' ' 45' ' ' CYS . 9.5 p -106.98 137.03 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.1 mm -54.49 128.99 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.6 mt -117.22 108.57 15.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.2 p -122.23 -32.14 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.72 -90.32 1.33 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -108.49 146.33 33.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.824 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -165.24 156.6 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.402 ' CG2' ' CE2' ' A' ' 69' ' ' TYR . 3.5 mt -120.78 135.15 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.3 p -108.1 132.46 53.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.579 ' HE2' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -129.94 131.54 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.522 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 28.9 t70 45.36 33.65 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.55 27.84 56.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.435 HG11 ' OH ' ' A' ' 64' ' ' TYR . 22.6 t -129.4 122.92 21.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 111.137 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 130.82 20.04 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 61.3 m-85 -140.09 155.1 47.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.1 p -91.27 175.87 6.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -74.33 -7.1 51.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.7 m -90.86 -71.61 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.481 ' HB3' ' NE2' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -55.12 -57.7 10.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.402 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 12.0 t80 -44.52 -56.85 3.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -62.04 -19.06 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.72 -18.57 21.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.481 ' NE2' ' HB3' ' A' ' 68' ' ' ASP . 2.0 mt-30 -99.11 -62.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CE2' ' HE2' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -96.72 -20.83 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.946 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.4 m80 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.845 0.355 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.4 t -64.57 131.52 47.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.585 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -83.34 22.61 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.06 -40.6 0.28 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.3 p -121.43 -3.59 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt 62.38 42.96 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.933 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.869 0.366 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.11 132.79 44.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.461 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -169.27 138.28 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp 49.52 45.35 24.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 52.0 28.23 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -129.13 178.89 6.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -125.06 115.69 20.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.585 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -124.04 159.46 29.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -75.48 167.03 22.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.495 ' O ' HG12 ' A' ' 40' ' ' VAL . 97.5 t -72.35 -10.62 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.2 p -126.88 21.67 6.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.0 m -123.65 -31.63 3.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.461 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 17.9 t80 -72.88 81.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.0 166.76 20.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.409 ' HB2' HG12 ' A' ' 50' ' ' VAL . 15.4 t -45.73 167.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.533 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.8 tp-100 -108.04 -17.84 13.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 50.0 m -96.43 -40.28 9.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.6 p -108.8 -24.33 11.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 t 70.88 53.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.409 HG12 ' HB2' ' A' ' 45' ' ' CYS . 8.0 p -111.22 137.15 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.0 mm -48.81 137.64 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.4 mt -125.71 106.97 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 t -131.95 -39.54 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.35 -69.07 1.42 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -131.41 135.22 46.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.875 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -158.61 157.03 31.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.2 mt -124.14 133.51 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.5 p -96.38 132.31 42.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -131.12 131.88 44.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.468 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 39.3 t0 39.56 37.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.47 36.7 43.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.45 HG11 ' HG2' ' A' ' 46' ' ' GLN . 21.7 t -142.92 123.5 8.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.661 0.744 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 126.98 13.96 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.709 2.272 . . . . 0.0 112.346 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.533 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 63.6 m-85 -132.27 159.68 38.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 28.9 p -95.04 165.09 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -64.93 -5.5 6.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.41 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 8.1 t -89.69 -71.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -57.79 -58.49 8.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -43.99 -56.85 3.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -55.8 -23.08 28.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.59 -22.37 18.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.54 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 6.0 mt-30 -85.68 -62.45 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.54 ' CD1' ' HB3' ' A' ' 72' ' ' GLN . 3.7 m-85 -115.03 20.93 14.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.926 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.7 m80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.838 0.351 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.2 t -41.38 156.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.529 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -100.64 -7.11 24.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.79 -42.69 1.52 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.463 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -109.14 -10.66 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt 59.56 50.05 7.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.524 HD13 ' CB ' ' A' ' 43' ' ' PHE . 5.2 tt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.853 0.359 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.67 126.54 30.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -170.7 128.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.063 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp 60.21 42.06 15.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.5 t0 54.84 25.57 6.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -131.19 174.7 9.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -122.09 117.69 26.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.598 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.5 OUTLIER -123.14 147.29 46.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -66.08 172.66 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.488 ' O ' HG12 ' A' ' 40' ' ' VAL . 92.7 t -76.42 -10.94 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.4 p -123.17 16.95 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.5 m -118.15 -36.48 3.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.524 ' CB ' HD13 ' A' ' 31' ' ' LEU . 15.9 t80 -69.79 105.93 2.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -153.57 168.38 26.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.5 t -50.45 167.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.589 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.9 tp-100 -107.3 -19.51 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.401 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 59.1 m -96.85 -42.29 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.04 -21.58 13.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m 63.43 54.94 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.0 p -109.16 136.3 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.588 HG22 HG23 ' A' ' 53' ' ' THR . 36.7 mm -54.32 120.86 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 mt -105.68 103.33 12.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.588 HG23 HG22 ' A' ' 51' ' ' ILE . 69.4 p -115.91 -39.59 3.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.84 -84.51 0.77 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -114.67 157.45 23.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -169.19 158.84 8.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.528 ' HB ' ' CD2' ' A' ' 69' ' ' TYR . 3.2 mt -128.52 128.01 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.182 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.9 p -96.56 131.12 43.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 62' ' ' VAL . 7.7 tmtm? -131.02 132.79 45.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER 42.8 37.47 1.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.61 29.53 61.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.548 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 4.0 t -134.91 121.21 14.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.569 0.7 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 125.96 12.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.589 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 66.7 m-85 -132.91 159.53 39.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 30.3 p -94.4 172.87 7.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -69.94 -5.86 29.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.6 t -90.02 -71.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' ALA . 80.4 m-20 -57.94 -55.99 27.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.528 ' CD2' ' HB ' ' A' ' 57' ' ' ILE . 6.9 t80 -44.51 -53.97 6.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -68.12 -16.53 64.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -94.02 -16.86 23.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -98.12 -64.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.416 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.8 m-85 -105.23 20.87 18.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.543 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -146.55 109.36 4.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -153.88 152.41 30.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.69 117.0 1.97 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t -157.0 121.75 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.847 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.3 m -146.31 159.38 43.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.33 107.26 0.31 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -131.41 142.61 46.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.572 0.701 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 138.1 36.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.639 2.226 . . . . 0.0 112.375 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.83 HG13 HG23 ' A' ' 12' ' ' ILE . 10.3 tp -84.96 120.76 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -91.03 39.93 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.83 HG23 HG13 ' A' ' 10' ' ' ILE . 2.7 pp -89.73 20.37 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -79.59 115.99 19.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 47.05 84.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -167.99 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.2 m 61.43 45.72 8.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -62.99 147.15 51.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.3 t -53.35 128.51 28.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.65 16.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.43 -37.4 0.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -123.93 -5.23 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.3 mptt 62.96 49.2 3.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -123.42 133.98 54.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -56.14 124.22 17.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.868 HG21 ' HB3' ' A' ' 30' ' ' SER . 39.1 mt -92.83 78.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -119.5 -48.01 2.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -80.58 -31.14 36.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.01 -157.78 29.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -115.97 163.77 15.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.868 ' HB3' HG21 ' A' ' 25' ' ' ILE . 77.7 p -122.9 166.86 14.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 38' ' ' TRP . 3.7 tt -134.82 121.77 21.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.433 ' N ' HD23 ' A' ' 31' ' ' LEU . 4.4 mm? -71.31 121.57 18.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -169.45 123.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mp 61.55 44.47 9.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 51.34 26.09 2.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -129.16 175.99 8.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -123.07 116.24 23.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.527 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -123.36 153.84 39.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.479 ' CD2' HG12 ' A' ' 25' ' ' ILE . 29.6 m170 -69.6 170.05 11.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.4 ' O ' HG12 ' A' ' 40' ' ' VAL . 33.4 t -76.05 -12.67 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.8 p -122.98 17.33 10.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.1 m -118.74 -33.55 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.524 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 9.2 t80 -71.62 106.22 3.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -153.48 165.85 34.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.7 t -48.76 167.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.581 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.0 tp-100 -106.61 -15.73 14.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.7 m -101.42 -40.89 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.469 ' SG ' HG12 ' A' ' 50' ' ' VAL . 23.7 p -107.26 -19.56 13.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.2 p 62.48 52.94 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.469 HG12 ' SG ' ' A' ' 48' ' ' CYS . 10.0 p -109.81 129.62 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.1 mm -48.55 126.93 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.0 mt -109.75 110.38 21.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.8 p -126.25 -43.15 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -74.91 -72.45 1.04 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -134.68 152.08 51.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.844 0.354 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -166.57 161.42 15.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.488 ' HB ' ' CD2' ' A' ' 69' ' ' TYR . 2.2 mt -127.23 130.58 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.3 p -98.0 133.21 42.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.571 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 2.4 tmtt? -130.47 137.84 49.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.463 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 36.6 t70 41.12 29.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.95 35.83 23.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.451 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 12.7 t -140.18 127.34 12.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 0.0 111.16 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.2 15.69 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.627 2.218 . . . . 0.0 112.363 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.5 m-85 -137.33 155.35 49.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 31.1 p -93.97 165.74 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -64.2 -5.92 5.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 t -87.96 -70.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' GLN . 68.8 m-20 -59.88 -57.61 12.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.488 ' CD2' ' HB ' ' A' ' 57' ' ' ILE . 11.3 t80 -42.39 -57.23 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -61.56 -21.31 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.62 -18.5 22.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' ASP . 20.8 mt-30 -88.18 -61.75 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 14.9 m-85 -107.81 -14.76 14.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -72.0 -42.85 50.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -97.58 134.5 40.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -128.99 -99.56 0.93 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 178.65 4.35 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.305 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -48.07 -55.57 9.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 m -83.21 47.75 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.112 -0.826 . . . . 0.0 112.469 -179.991 . . . . . . . . 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 -0.348 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -155.18 161.61 41.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.877 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -105.59 -43.43 4.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.47 96.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 t -90.69 121.87 32.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -143.82 144.78 31.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.45 123.77 1.62 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -138.14 116.43 9.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 158.75 55.82 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.631 2.221 . . . . 0.0 112.34 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.698 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -130.97 164.16 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 mtmm -67.48 115.19 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.1 mm -132.7 101.04 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -60.14 -53.88 52.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 61.54 62.53 5.7 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.44 ' HG3' ' CD ' ' A' ' 24' ' ' GLU . 53.7 Cg_endo -69.75 175.94 7.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.705 2.27 . . . . 0.0 112.351 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 m -66.88 117.22 8.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -103.94 145.18 30.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.5 t -53.11 129.97 32.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.4 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.96 17.49 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.09 -38.47 0.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 p -124.43 -2.38 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.377 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 60.27 53.06 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -124.67 133.61 53.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' CD ' ' HG3' ' A' ' 15' ' ' PRO . 25.3 tt0 -54.0 122.44 10.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.735 HG21 ' HB3' ' A' ' 30' ' ' SER . 92.8 mt -94.02 136.11 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' HIS . 9.3 mptt -81.71 39.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' LYS . 11.7 t-80 34.58 40.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -128.24 -82.14 0.34 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.55 42.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.735 ' HB3' HG21 ' A' ' 25' ' ' ILE . 82.8 p -93.09 162.46 14.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 tt -129.85 119.25 23.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.52 126.81 31.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.618 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -168.73 124.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.55 HD23 ' HA2' ' A' ' 61' ' ' GLY . 6.6 mp 57.34 49.89 12.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 49.26 25.61 1.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -127.42 -179.61 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -127.31 116.15 20.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.489 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -123.77 143.99 49.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -64.59 171.48 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.48 ' O ' HG12 ' A' ' 40' ' ' VAL . 88.7 t -75.72 -11.85 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 p -124.07 18.09 9.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.6 m -119.78 -34.57 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.618 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 5.5 t80 -69.89 97.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.26 164.66 30.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.6 t -49.55 166.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.546 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.9 tp-100 -107.34 -18.11 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.1 m -96.14 -42.93 7.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.5 p -105.51 -24.4 12.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t 70.72 49.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.8 p -107.27 134.99 47.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.6 mm -51.66 128.95 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.4 mt -114.72 101.31 8.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.7 p -122.26 -34.44 3.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -84.16 -83.46 0.96 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -122.26 139.26 54.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -159.85 167.91 27.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.67 136.54 56.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.1 p -100.86 132.67 46.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.529 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 6.3 tmtm? -128.42 133.44 48.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.416 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 6.5 t70 44.11 26.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.55 ' HA2' HD23 ' A' ' 34' ' ' LEU . . . 84.89 34.61 14.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.425 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 28.3 t -139.85 131.36 14.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 111.175 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 130.45 19.36 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.546 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 57.6 m-85 -141.46 147.17 37.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.81 164.5 17.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -62.45 -6.79 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -87.63 -70.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.424 ' HB3' ' NE2' ' A' ' 72' ' ' GLN . 68.3 m-20 -58.72 -57.46 12.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -44.43 -53.69 6.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -61.18 -22.0 64.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.73 -18.55 21.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.495 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 5.8 mt-30 -90.61 -58.7 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.529 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.2 m-85 -117.85 20.23 13.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -113.8 -34.89 1.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.443 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.9 t -171.06 149.06 2.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.834 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.39 123.83 1.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.526 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -29.4 24.09 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.379 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.7 t -168.12 122.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.8 t -152.04 130.76 12.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.484 179.985 . . . . . . . . 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 -0.318 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -174.52 118.53 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -140.79 176.05 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.4 157.09 26.45 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.433 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -102.22 -62.14 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -173.56 167.56 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.24 60.68 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.525 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -158.02 125.96 2.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 174.63 9.22 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.6 tp -110.81 149.76 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -115.23 51.53 0.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.1 pt -100.68 38.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -130.71 144.92 51.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.43 -168.28 34.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -175.79 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 p -69.03 122.36 18.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -110.47 139.5 45.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.607 ' HA ' HD11 ' A' ' 25' ' ' ILE . 51.6 t -48.53 137.61 11.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.714 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -81.88 16.12 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.067 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.02 -49.48 0.19 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -110.79 -2.76 16.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 59.45 41.84 18.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -110.86 135.01 52.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -51.25 125.3 13.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.607 HD11 ' HA ' ' A' ' 18' ' ' CYS . 65.6 mt -99.2 77.28 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -69.76 -68.06 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -74.98 177.0 6.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 29' ' ' GLN . . . -55.64 -109.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' GLY . 3.6 tp60 35.24 35.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 28' ' ' GLY . 83.0 p -115.32 171.94 7.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 38' ' ' TRP . 2.5 tt -147.35 122.75 10.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.405 ' HA ' HD13 ' A' ' 32' ' ' LEU . 4.0 mm? -80.53 132.94 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.592 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -172.09 133.69 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.608 HD23 ' HA2' ' A' ' 61' ' ' GLY . 6.8 mp 54.48 38.97 30.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.67 25.49 13.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm -126.85 178.4 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -123.12 116.35 23.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.714 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 1.3 m95 -123.17 146.06 48.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -68.91 171.3 8.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 40' ' ' VAL . 89.1 t -74.03 -15.31 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.1 p -120.83 19.59 11.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.8 m -122.1 -33.19 3.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.592 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 10.7 t80 -71.84 100.15 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -149.97 170.37 19.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.0 t -52.9 167.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.588 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.9 tp-100 -107.77 -15.45 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.7 m -99.29 -42.59 6.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.451 ' SG ' HG12 ' A' ' 50' ' ' VAL . 27.8 p -107.36 -19.29 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 m 63.95 49.37 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.451 HG12 ' SG ' ' A' ' 48' ' ' CYS . 7.3 p -103.68 135.34 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.9 mm -55.78 127.11 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.3 mt -115.16 102.22 9.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.6 p -109.75 -42.13 4.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.59 -84.74 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.06 167.64 17.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -173.26 174.91 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.483 HG21 ' CZ ' ' A' ' 69' ' ' TYR . 3.6 mt -125.71 132.2 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.6 p -99.73 129.0 45.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.419 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 7.7 tmtt? -129.63 133.0 46.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.6 t0 41.99 34.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.608 ' HA2' HD23 ' A' ' 34' ' ' LEU . . . 75.66 36.87 41.67 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.475 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.444 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 21.5 t -143.31 126.92 9.22 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.66 0.743 . . . . 0.0 111.11 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.55 19.53 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.667 2.244 . . . . 0.0 112.418 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 64.4 m-85 -138.69 147.44 42.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 67' ' ' SER . 26.0 p -82.5 170.92 14.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -69.89 -6.28 31.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.424 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . 5.5 m -90.22 -71.19 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 72' ' ' GLN . 69.4 m-20 -56.33 -58.37 8.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.483 ' CZ ' HG21 ' A' ' 57' ' ' ILE . 12.7 t80 -43.99 -55.73 4.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -60.34 -21.19 61.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.91 -22.02 18.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.445 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.3 mt-30 -87.98 -60.99 1.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 72' ' ' GLN . 4.1 m-85 -113.82 20.84 15.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -116.69 -38.84 0.87 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 m -137.23 161.77 35.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.906 0.384 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.95 89.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 90.52 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.654 2.236 . . . . 0.0 112.374 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.3 t -87.93 -47.04 8.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 t -125.37 152.49 44.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.477 -179.968 . . . . . . . . 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 1.451 -0.306 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -135.63 139.11 43.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 t -153.28 144.99 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.8 -162.16 24.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -159.65 132.36 6.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.905 0.383 . . . . 0.0 110.818 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 p -144.18 138.35 28.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.59 73.56 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 8.7 ptpp? -100.32 108.82 54.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.621 0.724 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 8' ' ' LYS . 53.8 Cg_endo -69.75 145.55 57.58 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.7 pt -115.84 160.06 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -106.11 88.46 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.0 mt -76.47 87.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -153.54 152.89 31.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.23 63.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' O ' ' CE1' ' A' ' 17' ' ' HIS . 53.8 Cg_endo -69.78 -175.61 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.266 . . . . 0.0 112.339 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.1 m -69.35 109.8 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.403 ' CE1' ' O ' ' A' ' 15' ' ' PRO . 8.0 m80 -98.96 153.06 19.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.525 ' HA ' HD11 ' A' ' 25' ' ' ILE . 46.2 t -63.57 131.83 49.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.533 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.96 19.97 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.72 -37.51 0.44 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p -127.12 3.8 6.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt 53.08 53.01 12.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -125.05 131.36 53.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -48.06 124.14 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.525 HD11 ' HA ' ' A' ' 18' ' ' CYS . 75.9 mt -92.72 109.41 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -65.01 149.36 49.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -65.09 89.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.27 -45.96 0.23 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.426 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -117.54 103.62 10.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 110.915 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.429 ' HB3' HG21 ' A' ' 25' ' ' ILE . 77.3 p -155.15 159.26 40.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tt -133.78 115.25 14.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 32' ' ' LEU . 4.4 mm? -74.74 121.51 21.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.514 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -165.74 134.29 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.609 HD23 ' HA2' ' A' ' 61' ' ' GLY . 6.5 mp 53.85 43.52 30.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 t0 52.21 25.97 3.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -128.9 179.66 5.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -125.67 116.3 21.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.546 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -123.32 157.4 33.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -73.81 169.37 17.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -72.56 -19.27 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.1 p -116.81 19.71 14.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.8 m -122.02 -34.28 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.514 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 23.2 t80 -71.17 99.33 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -150.25 172.4 15.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.1 t -54.47 166.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.6 tp-100 -108.15 -16.83 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 m -98.89 -39.43 8.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.489 ' SG ' HG12 ' A' ' 50' ' ' VAL . 23.8 p -109.28 -20.76 12.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 m 63.79 54.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.489 HG12 ' SG ' ' A' ' 48' ' ' CYS . 8.1 p -111.01 134.79 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.5 mm -54.17 124.2 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.1 mt -110.84 111.49 22.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.4 p -126.38 -41.76 1.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.93 -78.92 0.87 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -119.77 146.6 45.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -166.4 166.43 16.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 mt -132.21 136.88 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.8 p -105.77 128.44 53.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.492 ' HD2' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -126.78 135.83 51.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.6 t70 41.82 28.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.609 ' HA2' HD23 ' A' ' 34' ' ' LEU . . . 82.53 35.07 20.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' LYS . 33.3 t -140.17 129.3 13.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.578 0.704 . . . . 0.0 111.145 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 132.1 22.59 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.4 m-85 -143.38 144.47 32.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.3 p -84.6 165.46 17.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -63.1 -6.74 4.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.6 t -88.24 -70.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' GLN . 81.0 m-20 -58.39 -58.59 7.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -43.12 -57.02 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -58.06 -24.36 58.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -94.0 -18.0 22.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 68' ' ' ASP . 5.8 mt-30 -95.75 -62.04 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.492 ' CE2' ' HD2' ' A' ' 59' ' ' LYS . 2.0 m-85 -110.94 21.39 16.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -115.06 -36.3 1.25 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.9 t -83.28 161.61 21.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 78' ' ' SER . . . -141.18 -72.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 78' ' ' SER . 53.4 Cg_endo -69.82 11.45 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.65 2.234 . . . . 0.0 112.349 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.524 ' C ' ' O ' ' A' ' 77' ' ' PRO . 27.6 p -27.46 122.19 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.6 p -78.53 144.6 35.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.5 -179.995 . . . . . . . . 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 -0.339 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 t -152.01 144.31 24.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -168.9 121.95 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.17 178.8 44.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -173.77 147.06 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.908 0.385 . . . . 0.0 110.857 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 p -173.16 153.38 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.45 103.31 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -154.05 131.53 6.17 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 177.98 5.02 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.46 ' CG1' HG12 ' A' ' 12' ' ' ILE . 6.4 tp -113.5 144.8 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.412 ' N ' HG13 ' A' ' 10' ' ' ILE . 20.8 mmtp -99.81 67.42 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.46 HG12 ' CG1' ' A' ' 10' ' ' ILE . 25.9 pt -133.8 126.39 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -175.23 146.94 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.839 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.13 77.18 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -172.51 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.419 ' CB ' ' NE2' ' A' ' 37' ' ' GLN . 74.0 m -95.86 136.85 35.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.828 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -118.76 137.93 53.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.646 ' HA ' HD11 ' A' ' 25' ' ' ILE . 42.9 t -52.05 132.12 32.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.601 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -83.2 23.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.93 -43.4 0.18 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.9 p -117.63 -2.29 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.937 0.398 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 60.34 44.69 12.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.939 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -113.3 133.9 54.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -54.54 122.25 10.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.646 HD11 ' HA ' ' A' ' 18' ' ' CYS . 33.0 mt -97.69 77.55 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 27' ' ' HIS . 13.1 pttm -102.95 -43.21 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.474 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 10.0 t60 -34.35 -51.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 145.88 -62.87 0.46 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -43.34 110.2 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.813 0.339 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.1 p -142.14 163.8 31.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tt -135.95 108.0 7.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.7 130.01 39.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.966 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -173.27 130.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 34' ' ' LEU . 7.1 mp 57.66 43.56 22.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 51.9 28.05 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -129.51 175.65 8.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' NE2' ' CB ' ' A' ' 16' ' ' SER . 30.3 mt-30 -125.23 116.2 21.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.601 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -123.61 160.87 26.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.413 ' NE2' HG12 ' A' ' 25' ' ' ILE . 31.6 m170 -78.38 171.53 14.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.89 -18.2 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.7 p -119.61 20.8 12.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.6 m -122.62 -30.67 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -74.38 88.48 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.79 166.41 24.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.1 t -47.72 166.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.8 tp-100 -108.52 -16.23 14.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.5 m -99.89 -37.15 9.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.485 ' SG ' HG12 ' A' ' 50' ' ' VAL . 22.3 p -112.93 -20.61 11.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.1 t 64.34 54.92 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.485 HG12 ' SG ' ' A' ' 48' ' ' CYS . 8.9 p -113.09 125.7 70.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.497 HG22 HG23 ' A' ' 53' ' ' THR . 50.1 mm -41.5 131.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.0 mt -116.42 99.36 7.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.497 HG23 HG22 ' A' ' 51' ' ' ILE . 81.2 p -113.72 -43.57 3.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.14 -89.13 0.38 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.53 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.5 mp0 -110.88 145.27 38.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.37 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -162.76 155.49 19.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.6 mt -123.81 138.74 52.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.6 p -104.15 132.23 50.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.558 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 4.7 tmtt? -126.92 133.36 50.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t0 41.72 26.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . 85.78 38.31 8.82 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.451 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.402 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 43.2 t -143.5 130.96 10.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.731 . . . . 0.0 111.103 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 130.39 19.23 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.226 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.3 m-85 -141.03 150.15 42.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 29.0 p -89.07 164.53 15.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -63.17 -6.43 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.3 t -88.27 -70.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' GLN . 82.4 m-20 -58.35 -58.69 7.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -42.96 -58.35 2.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -57.78 -21.96 44.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.76 -21.06 19.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.466 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 8.2 mt-30 -90.74 -59.79 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 6.9 m-85 -115.23 21.57 14.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -111.46 -36.67 1.72 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.6 p -99.99 86.84 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.379 . . . . 0.0 110.841 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' A' ' 78' ' ' SER . . . -94.21 178.34 37.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.515 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 15.9 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 76' ' ' GLY . 71.9 m -76.47 52.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.1 m 53.2 47.63 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.524 179.992 . . . . . . . . 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 . . . . . 0.414 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 1' ' ' GLY . 75.5 p 37.06 41.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.841 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -146.43 153.22 40.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.74 106.67 0.19 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 m -114.66 148.57 37.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.887 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -130.48 117.78 20.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.75 54.23 0.12 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -78.15 121.95 84.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.592 0.71 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -173.67 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.51 HD11 HD11 ' A' ' 12' ' ' ILE . 23.6 pt -113.41 153.7 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -88.86 116.44 27.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.51 HD11 HD11 ' A' ' 10' ' ' ILE . 45.1 mt -118.74 79.46 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -74.96 -59.72 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.57 116.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -42.96 3.02 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 m -160.66 149.57 16.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -137.14 157.13 47.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' HA ' HD11 ' A' ' 25' ' ' ILE . 52.9 t -61.45 131.08 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.519 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -84.25 20.56 1.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.73 -36.06 0.46 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 p -123.3 -4.55 8.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.957 0.408 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mptt 61.03 50.47 5.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -125.58 133.81 52.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -51.93 125.55 15.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.492 HG21 ' HB3' ' A' ' 30' ' ' SER . 82.8 mt -93.26 83.21 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' HIS . 9.4 mmmm -58.51 128.92 39.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -34.52 130.12 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.71 -47.81 0.61 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -151.63 132.18 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 110.893 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.492 ' HB3' HG21 ' A' ' 25' ' ' ILE . 85.2 p -167.85 156.82 9.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tt -122.58 112.86 18.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -74.97 130.05 38.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -171.89 137.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp 52.3 41.4 30.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.1 t70 54.22 27.03 7.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -130.39 176.37 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -122.64 116.2 23.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.556 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -123.42 158.49 31.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -78.39 167.35 21.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 t -70.34 -20.02 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 p -115.37 18.96 15.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.3 m -122.54 -32.62 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -72.73 99.17 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -148.93 171.28 16.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.5 t -52.43 166.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.577 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.5 tp-100 -107.56 -15.36 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.1 m -100.48 -40.44 7.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.6 p -108.19 -20.18 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 m 63.61 53.86 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -109.62 137.6 41.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.1 mm -55.27 128.33 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 mt -115.0 107.6 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.3 p -124.34 -36.64 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.47 -73.28 1.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -130.71 150.19 52.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -163.76 164.31 23.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.2 mt -132.24 131.95 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.8 p -100.1 133.03 45.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.478 ' HD3' ' N ' ' A' ' 60' ' ' ASP . 1.8 tmtt? -129.44 132.26 46.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.478 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 27.5 t70 43.94 33.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.4 37.13 32.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.481 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 20.7 t -141.74 128.29 11.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 111.161 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 131.21 20.75 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 57.6 m-85 -142.72 152.2 42.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 30.4 p -90.74 172.47 8.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -69.61 -5.86 27.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -89.05 -70.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' ALA . 73.0 m-20 -59.16 -57.3 13.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -42.56 -57.79 2.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -61.21 -20.95 63.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.76 -16.62 24.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' ASP . 9.4 mt-30 -96.64 -63.68 1.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 2.2 m-85 -109.78 19.89 18.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -104.39 -33.52 3.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.6 p -57.51 147.13 27.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.358 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.64 -108.31 2.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -35.94 11.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.321 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -94.72 121.58 36.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.6 m -91.23 163.33 14.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.453 179.995 . . . . . . . . 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 1.451 -0.355 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -167.09 163.93 15.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.896 0.379 . . . . 0.0 110.849 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -153.61 164.29 38.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.15 -166.21 16.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -169.65 149.79 3.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.828 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.5 p -132.68 169.3 16.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' C ' ' HD2' ' A' ' 8' ' ' LYS . . . -105.18 169.74 16.87 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 7' ' ' GLY . 4.0 mptt -142.8 133.72 12.62 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -174.18 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.3 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.519 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -136.84 154.21 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.95 84.77 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 13' ' ' ARG . 40.4 mt -54.87 -60.24 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' ILE . 15.1 tpp180 34.42 48.14 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -109.2 -75.39 0.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 170.25 17.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.703 2.268 . . . . 0.0 112.321 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.492 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 50.7 m -119.41 126.99 52.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -93.63 142.84 26.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.508 ' HA ' HD11 ' A' ' 25' ' ' ILE . 49.1 t -54.01 130.06 36.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.47 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -81.98 17.46 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.47 -40.15 0.51 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.8 p -122.88 -2.3 8.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm 60.86 51.26 4.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -123.9 131.2 53.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -50.52 125.25 12.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.508 HD11 ' HA ' ' A' ' 18' ' ' CYS . 54.9 mt -96.03 70.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -96.22 -36.19 11.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' LYS . 3.2 m80 -37.05 -38.4 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 132.3 -67.74 0.56 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -47.43 139.5 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -162.39 156.23 21.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 tt -123.02 108.21 12.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.1 113.44 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -153.19 138.25 17.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 mp 50.29 43.92 26.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.4 t0 54.33 25.72 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -129.58 -177.96 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.492 ' NE2' ' HB2' ' A' ' 16' ' ' SER . 18.1 mt-30 -125.34 116.54 22.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.501 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 1.8 m95 -121.93 155.45 35.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -75.93 164.81 25.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 40' ' ' VAL . 84.2 t -70.55 -11.24 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.6 p -124.81 20.41 8.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.8 m -123.88 -31.88 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -75.99 101.47 5.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -148.36 165.43 31.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.1 t -47.49 166.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.6 tp-100 -106.86 -15.08 14.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.4 m -99.23 -44.14 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.3 p -105.68 -21.93 13.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.7 p 68.07 45.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.7 p -98.01 134.75 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.519 HG22 HG23 ' A' ' 53' ' ' THR . 48.6 mm -55.94 120.3 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mt -105.45 107.88 19.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.96 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.519 HG23 HG22 ' A' ' 51' ' ' ILE . 80.7 p -122.5 -35.12 3.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.15 -81.37 1.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -120.52 149.33 42.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -167.14 165.47 15.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.445 HG21 ' CZ ' ' A' ' 69' ' ' TYR . 4.5 mt -128.92 134.07 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 p -101.07 130.87 47.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.561 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 4.7 tmtt? -130.04 132.92 46.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.414 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 44.1 t0 43.78 35.05 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.41 37.21 42.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.1 t -142.57 126.06 9.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.664 0.745 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 128.6 16.29 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.73 2.287 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 59.4 m-85 -135.9 155.97 49.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 26.4 p -90.76 168.31 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -67.29 -6.45 18.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.408 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 41.4 t -90.03 -71.41 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.837 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 72' ' ' GLN . 48.8 m-20 -56.09 -57.41 12.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.445 ' CZ ' HG21 ' A' ' 57' ' ' ILE . 25.0 t80 -44.07 -56.53 3.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -60.12 -20.74 59.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.98 -21.99 18.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.468 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 9.3 mt-30 -87.74 -62.09 1.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 4.3 m-85 -113.77 21.07 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -114.07 -39.31 1.06 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.1 t -70.98 164.16 26.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.22 116.84 0.68 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 114.51 3.73 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.313 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.0 t -65.36 -57.97 7.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 76.3 p -51.77 141.69 16.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.504 179.985 . . . . . . . . 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 -0.32 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -164.45 134.97 4.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -161.48 175.35 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.2 99.14 0.3 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t -171.23 125.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -134.02 151.15 51.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.55 88.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.89 143.2 27.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.571 0.701 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 157.4 60.48 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.381 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.2 tt -112.29 128.71 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -83.5 84.67 7.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.4 mt -83.37 103.76 11.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -110.01 138.28 46.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.17 -67.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 122.74 9.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.5 m -61.32 132.04 52.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -111.19 138.01 48.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.5 t -50.07 129.91 21.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.527 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.21 22.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.03 -45.37 0.16 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.2 p -113.11 -7.8 13.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm 62.06 49.08 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -126.35 129.92 49.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -45.86 124.91 5.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.441 HG12 ' NE2' ' A' ' 39' ' ' HIS . 88.4 mt -91.51 117.67 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -58.15 152.76 16.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -68.64 95.47 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 150.58 -77.62 0.23 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -74.49 97.81 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.402 ' HB3' HG21 ' A' ' 25' ' ' ILE . 57.4 p -153.28 166.27 33.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -135.82 119.61 17.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.89 127.58 32.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.951 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -167.55 132.02 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.526 ' CD2' ' C ' ' A' ' 61' ' ' GLY . 7.1 mp 53.47 42.48 31.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 54.73 25.95 7.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -129.15 174.83 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -119.9 116.58 26.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.527 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 1.4 m95 -123.17 155.23 37.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.441 ' NE2' HG12 ' A' ' 25' ' ' ILE . 28.0 m170 -74.88 165.58 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.0 t -68.64 -17.55 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.9 m -120.06 23.03 11.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 51.7 m -124.96 -32.8 2.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -72.26 85.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.416 ' HB2' ' C ' ' A' ' 50' ' ' VAL . 15.8 pttt -133.85 170.54 15.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.6 t -49.44 168.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.564 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.7 tp-100 -107.97 -18.33 13.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.5 m -97.47 -39.98 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.0 p -108.63 -21.5 12.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 m 64.63 54.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.416 ' C ' ' HB2' ' A' ' 44' ' ' LYS . 7.2 p -108.06 135.53 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.3 mm -54.38 121.69 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.0 mt -108.43 108.92 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.5 p -116.97 -47.65 2.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.01 -93.08 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -113.76 152.01 31.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.836 0.351 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -160.37 163.13 33.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.498 ' CG2' ' CE2' ' A' ' 69' ' ' TYR . 9.5 mt -120.48 137.01 55.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.8 p -107.08 126.99 53.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.535 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 5.2 tmtt? -125.9 134.11 51.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.468 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 6.6 t70 40.62 32.42 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.526 ' C ' ' CD2' ' A' ' 34' ' ' LEU . . . 79.19 36.5 27.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' LYS . 40.0 t -141.49 128.5 11.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.601 0.715 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 132.95 24.4 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.638 2.225 . . . . 0.0 112.339 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 62.3 m-85 -142.25 150.7 41.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 26.9 p -88.65 165.16 14.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -64.6 -5.96 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.424 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 23.0 t -90.24 -71.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' ALA . 84.9 m-20 -55.99 -57.13 13.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.498 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 14.6 t80 -44.37 -57.38 3.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -61.79 -17.25 55.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.89 -25.03 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -87.01 -64.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.535 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 23.1 m-85 -97.51 -22.09 16.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.71 -48.14 51.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.2 m -65.45 -61.13 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.932 0.396 . . . . 0.0 110.831 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -90.39 159.69 27.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 109.06 2.21 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.64 2.227 . . . . 0.0 112.391 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.2 t -44.09 145.56 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.8 t -92.24 -59.91 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.545 -179.957 . . . . . . . . 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 -0.355 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 p -174.38 126.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.92 0.39 . . . . 0.0 110.894 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -125.16 177.47 6.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.76 -169.09 23.55 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -143.07 133.17 24.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m -132.65 132.75 42.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.12 -165.1 12.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -91.56 138.64 25.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 10' ' ' ILE . 53.5 Cg_endo -69.74 -175.83 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.667 ' O ' HG23 ' A' ' 10' ' ' ILE . 11.0 tp 27.76 48.19 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.99 38.39 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.546 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.8 pp -114.56 29.35 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -54.52 139.68 37.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.65 -65.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.445 ' O ' ' CE1' ' A' ' 17' ' ' HIS . 54.0 Cg_endo -69.73 141.7 46.07 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.721 2.281 . . . . 0.0 112.349 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.3 m -63.38 124.73 22.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.445 ' CE1' ' O ' ' A' ' 15' ' ' PRO . 9.0 m80 -107.29 138.27 43.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.746 ' HA ' HD11 ' A' ' 25' ' ' ILE . 14.4 t -39.36 155.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.562 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -100.6 -3.55 30.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.35 -47.42 0.93 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.3 p -105.85 -11.38 16.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.922 0.392 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? 62.75 42.75 7.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -112.75 135.26 53.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -47.83 123.3 5.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.746 HD11 ' HA ' ' A' ' 18' ' ' CYS . 61.0 mt -98.88 86.99 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -85.29 -60.21 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -50.02 149.72 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.77 46.26 2.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -122.13 57.73 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.5 p -106.73 159.31 16.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 tt -121.88 112.19 18.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.55 123.07 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.513 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -169.67 130.96 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.072 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mp 57.44 42.42 24.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.5 t70 51.99 25.73 3.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -130.13 175.42 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -117.59 116.36 26.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.562 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 1.1 m95 -123.1 141.05 52.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.956 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -58.83 178.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 40' ' ' VAL . 98.3 t -80.59 -12.93 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.4 t -124.74 17.66 8.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.5 m -115.8 -32.1 5.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.513 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 12.1 t80 -73.89 91.44 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -140.97 170.33 15.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.7 t -52.21 167.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.577 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.2 tp-100 -108.24 -15.54 14.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 m -99.21 -38.98 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.487 ' SG ' HG12 ' A' ' 50' ' ' VAL . 31.3 p -110.73 -19.62 12.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.2 m 63.2 52.7 2.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.487 HG12 ' SG ' ' A' ' 48' ' ' CYS . 11.6 p -106.18 136.47 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.0 mm -55.81 120.69 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mt -108.02 102.3 11.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.0 p -113.41 -40.82 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.85 -87.84 0.54 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -111.88 157.8 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -171.93 161.42 5.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.9 mt -124.4 135.66 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.097 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.5 p -103.41 130.75 50.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 3.9 tmtt? -129.97 134.69 47.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.463 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 26.4 t70 40.02 32.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.82 36.71 28.04 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' LYS . 25.1 t -142.36 126.59 9.91 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.601 0.715 . . . . 0.0 111.162 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 131.06 20.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 62.8 m-85 -139.57 152.44 46.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 26.8 p -88.17 169.65 11.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -69.12 -6.3 27.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.422 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 46.8 t -89.89 -71.54 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' GLN . 76.0 m-20 -56.92 -57.63 11.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -43.57 -56.88 3.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -61.21 -21.14 63.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.813 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -94.14 -19.13 21.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' ASP . 6.5 mt-30 -91.45 -63.8 1.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.1 m-85 -100.31 -19.99 16.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.84 -51.76 33.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.3 m -89.74 141.37 28.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 77' ' ' PRO . . . 156.77 -148.48 18.38 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.507 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 76' ' ' GLY . 53.3 Cg_endo -69.77 -172.71 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.27 . . . . 0.0 112.327 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -81.88 -40.2 22.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.3 t 72.82 42.14 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.483 -179.96 . . . . . . . . 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 1.452 -0.295 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.7 p -160.32 118.7 2.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.834 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -163.29 156.63 19.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.65 170.38 34.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -157.88 127.82 6.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -162.52 158.34 23.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.87 92.93 2.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -151.84 126.97 4.76 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.545 0.688 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 147.58 63.49 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.673 2.248 . . . . 0.0 112.397 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 10' ' ' ILE . 1.8 tp -106.92 120.36 58.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.05 73.79 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.421 HG13 ' CG1' ' A' ' 10' ' ' ILE . 70.4 mt -81.62 122.55 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.4 ptp85 -168.54 164.69 12.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.19 122.41 12.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -164.42 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.629 2.219 . . . . 0.0 112.365 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.8 m 60.1 45.31 11.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -66.31 142.69 57.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.629 ' HA ' HD11 ' A' ' 25' ' ' ILE . 43.3 t -46.7 130.52 11.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.574 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -83.48 22.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.56 -38.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -122.33 -4.92 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? 60.69 51.78 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -126.64 132.32 51.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -48.38 123.74 7.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.629 HD11 ' HA ' ' A' ' 18' ' ' CYS . 62.3 mt -93.86 128.53 45.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.154 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -51.0 166.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.5 ' CD2' ' O ' ' A' ' 27' ' ' HIS . 31.8 p-80 -83.46 44.86 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -164.07 -73.97 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -66.23 106.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -160.09 157.18 28.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tt -124.01 111.33 15.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.962 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.47 123.34 25.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -166.93 138.13 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mp 52.97 40.01 30.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 54.3 25.81 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -128.18 -179.25 4.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -124.33 116.29 22.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.574 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 2.5 m95 -123.23 158.75 30.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -77.23 174.59 10.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 40' ' ' VAL . 47.6 t -76.91 -12.65 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.6 t -125.95 20.23 7.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.9 m -119.81 -34.74 3.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -71.61 86.53 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -134.71 167.58 20.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.3 t -48.73 168.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.587 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 8.2 tp-100 -108.35 -19.33 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 m -96.43 -39.59 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.53 ' SG ' HG12 ' A' ' 50' ' ' VAL . 28.3 p -109.25 -21.54 12.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m 64.26 52.23 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.53 HG12 ' SG ' ' A' ' 48' ' ' CYS . 8.8 p -108.08 129.04 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.456 HG22 HG23 ' A' ' 53' ' ' THR . 30.4 mm -46.16 124.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.5 mt -108.32 109.76 21.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.456 HG23 HG22 ' A' ' 51' ' ' ILE . 68.3 p -124.9 -39.7 2.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -83.77 -87.17 0.83 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -108.79 137.55 46.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -155.96 151.09 26.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.6 mt -124.65 135.72 62.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.4 t -101.19 133.95 44.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.554 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 6.0 tmtm? -130.41 134.23 46.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t70 38.84 33.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.0 38.43 22.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' LYS . 42.3 t -143.44 126.6 8.99 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.598 0.713 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 129.21 17.21 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.587 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.6 m-85 -139.2 153.07 47.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 28.8 p -91.37 167.07 12.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.39 -5.81 8.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.414 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 7.9 t -89.3 -71.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' ALA . 78.6 m-20 -57.97 -59.04 5.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -44.15 -54.39 5.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -59.92 -22.44 62.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.74 -22.1 18.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' ASP . 8.0 mt-30 -90.49 -58.94 2.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.554 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 2.9 m-85 -113.54 21.05 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -127.28 7.8 7.1 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.9 m -141.57 166.13 25.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.93 0.395 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.4 ' HA2' ' HD2' ' A' ' 77' ' ' PRO . . . 155.29 93.34 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.456 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.4 ' HD2' ' HA2' ' A' ' 76' ' ' GLY . 53.7 Cg_endo -69.76 -1.34 8.31 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 0.0 112.391 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.4 m -53.45 172.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.4 m -78.97 86.66 4.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.539 179.985 . . . . . . . . 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 1.452 -0.297 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -97.38 42.4 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 t -122.65 156.13 34.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.88 73.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -113.84 141.57 47.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.875 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -117.9 148.51 42.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.17 67.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.445 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -173.81 153.37 2.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.536 0.684 . . . . 0.0 110.937 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 150.77 68.16 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.32 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.628 HG13 HG23 ' A' ' 12' ' ' ILE . 7.3 tp -105.03 118.89 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -89.51 66.86 7.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.679 ' O ' HD12 ' A' ' 12' ' ' ILE . 2.8 pp -118.24 35.27 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -55.17 -43.99 74.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.55 74.92 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 81.75 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.685 2.257 . . . . 0.0 112.302 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.7 p -125.14 40.85 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -59.19 141.29 54.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.7 t -56.56 133.18 53.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.64 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -82.12 18.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.95 -47.75 0.22 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.484 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.09 -2.87 13.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.391 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? 61.21 52.36 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -127.93 133.69 49.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -52.74 129.24 29.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.761 HG21 ' HB3' ' A' ' 30' ' ' SER . 76.0 mt -94.47 87.03 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -133.67 -40.18 0.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -76.28 -46.58 27.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.13 -149.38 25.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -110.94 -177.6 3.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.761 ' HB3' HG21 ' A' ' 25' ' ' ILE . 41.6 p -135.8 173.23 11.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 38' ' ' TRP . 3.8 tt -142.29 114.29 8.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.13 120.75 15.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -168.15 133.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.547 ' CD2' ' C ' ' A' ' 61' ' ' GLY . 6.4 mp 54.0 42.49 31.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 51.37 31.7 7.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -132.05 178.27 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -124.11 115.96 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.64 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -123.66 161.5 24.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.457 ' CD2' HG12 ' A' ' 25' ' ' ILE . 31.6 m170 -78.92 161.39 26.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 40' ' ' VAL . 59.3 t -67.46 -14.88 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.4 p -122.13 25.23 9.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 56.0 m -128.72 -32.97 2.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CD2' HD22 ' A' ' 31' ' ' LEU . 42.9 t80 -72.04 94.04 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HB2' ' C ' ' A' ' 50' ' ' VAL . 8.4 pttm -140.88 169.99 16.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.403 ' HB2' HG12 ' A' ' 50' ' ' VAL . 11.7 t -48.85 167.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.592 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.2 tp-100 -107.46 -17.67 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.408 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 83.8 m -98.29 -40.07 8.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 49' ' ' SER . 22.7 p -108.15 -21.14 12.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 48' ' ' CYS . 1.3 m 65.27 53.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.432 ' C ' ' HB2' ' A' ' 44' ' ' LYS . 7.1 p -109.63 137.52 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.0 mm -50.07 138.2 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.9 mt -125.33 105.91 9.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 t -133.54 -39.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.63 -53.29 4.38 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -151.54 146.35 25.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -166.18 168.97 14.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.52 ' CG2' ' CE2' ' A' ' 69' ' ' TYR . 7.6 mt -132.32 135.73 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.8 p -103.98 127.52 51.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 7.3 tmtt? -126.6 132.16 51.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER 42.95 32.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.547 ' C ' ' CD2' ' A' ' 34' ' ' LEU . . . 80.0 30.09 44.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.448 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 22.3 t -132.96 123.88 18.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.668 0.747 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 129.21 17.19 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 61.5 m-85 -138.61 160.02 40.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 32.1 p -98.29 164.16 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -63.22 -5.94 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -88.79 -71.37 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 72' ' ' GLN . 80.6 m-20 -60.41 -53.19 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.52 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 15.0 t80 -45.47 -58.86 3.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -61.25 -17.76 55.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.834 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.95 -23.23 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' ASP . 7.8 mt-30 -90.97 -62.71 1.39 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 0.7 OUTLIER -96.64 -22.84 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.86 -50.6 46.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.6 m -79.99 161.41 25.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.85 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -152.59 -151.71 5.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -178.2 2.24 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.324 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.3 m -97.22 80.86 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.1 t -135.18 149.91 50.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.47 -179.984 . . . . . . . . 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 -0.309 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 p -136.46 144.74 44.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 t -118.18 42.27 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.5 38.8 1.55 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -69.99 102.11 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.851 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -154.06 116.98 4.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.08 -173.79 16.69 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 pttp -168.65 111.38 0.54 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.57 0.7 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -177.29 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.733 2.289 . . . . 0.0 112.343 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 tt -135.89 151.75 29.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -100.43 84.59 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.4 mm -104.59 117.79 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 14' ' ' GLY . 10.2 ptp85 -109.06 -37.97 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.403 ' N ' ' HG3' ' A' ' 13' ' ' ARG . . . 95.02 66.68 1.0 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.549 ' HG2' ' CE1' ' A' ' 17' ' ' HIS . 53.5 Cg_endo -69.81 159.76 52.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.237 . . . . 0.0 112.315 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 p -91.37 130.89 37.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.549 ' CE1' ' HG2' ' A' ' 15' ' ' PRO . 22.8 m80 -125.28 146.74 49.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.567 ' HA ' HD11 ' A' ' 25' ' ' ILE . 52.9 t -57.67 130.82 48.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.483 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -81.33 16.44 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.73 -41.48 0.42 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.0 p -119.47 -0.36 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 56.84 49.36 14.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -125.18 132.16 53.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -48.4 127.94 13.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.567 HD11 ' HA ' ' A' ' 18' ' ' CYS . 13.3 mt -95.95 -27.39 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 25' ' ' ILE . 23.1 ttmt -34.72 145.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 64.02 40.19 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.63 -116.97 0.42 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.426 ' O ' ' CG2' ' A' ' 25' ' ' ILE . 65.1 mt-30 -149.66 139.88 22.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 110.902 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.438 ' OG ' HG21 ' A' ' 25' ' ' ILE . 1.1 m -122.56 166.91 14.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 tt -130.7 109.62 10.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.9 115.41 6.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.515 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -164.81 123.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 34' ' ' LEU . 6.5 mp 62.05 45.08 7.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 50.19 27.5 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -130.27 177.82 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -125.02 116.37 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.543 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -123.37 153.71 39.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.52 ' CD2' HG12 ' A' ' 25' ' ' ILE . 40.8 m170 -67.67 165.14 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 40' ' ' VAL . 43.8 t -72.92 -9.85 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 p -126.62 21.66 7.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.1 m -124.21 -30.51 3.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.515 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 34.1 t80 -72.85 96.67 2.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -144.98 170.13 16.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 12.2 t -52.01 167.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.586 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 11.2 tp-100 -107.39 -17.65 14.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.9 m -98.0 -42.58 7.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.49 ' SG ' HG12 ' A' ' 50' ' ' VAL . 28.5 p -105.6 -20.86 13.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m 64.33 50.15 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.49 HG12 ' SG ' ' A' ' 48' ' ' CYS . 7.7 p -105.54 136.59 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.28 122.68 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.3 mt -107.5 108.55 19.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.4 p -121.21 -36.76 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.32 -87.42 0.64 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -120.6 141.61 50.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.382 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -153.7 169.23 23.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.497 ' CG2' ' CE2' ' A' ' 69' ' ' TYR . 4.8 mt -129.1 134.65 63.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.3 p -102.08 131.36 48.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.596 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 11.7 tmtt? -126.56 131.53 51.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 38.48 31.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . 83.38 37.39 12.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.459 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' LYS . 58.7 t -141.71 125.53 9.99 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.599 0.714 . . . . 0.0 111.135 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.9 16.7 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.334 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.586 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.6 m-85 -139.04 150.24 45.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 28.4 p -87.39 167.66 13.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -66.57 -5.79 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.418 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 9.2 t -89.1 -71.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 72' ' ' GLN . 60.7 m-20 -57.9 -59.56 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.497 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 7.9 t80 -43.25 -58.72 2.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -56.71 -24.78 51.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.07 -17.66 22.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.511 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 10.6 mt-30 -88.66 -63.28 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.596 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 3.0 m-85 -110.9 -1.35 16.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.04 -38.24 11.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.3 m -119.59 167.73 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.844 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -95.11 148.34 18.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 0.08 6.15 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -109.74 162.81 14.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 96.0 p -142.59 177.2 8.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.507 179.959 . . . . . . . . 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 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -165.92 139.99 4.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 0.0 110.849 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.1 p -173.89 147.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.75 168.58 40.28 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -157.62 140.11 14.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -146.08 130.39 17.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.58 64.19 0.45 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -72.67 115.37 39.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 173.02 11.59 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.721 2.28 . . . . 0.0 112.313 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 pt -113.8 131.1 66.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -85.06 92.8 8.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.3 mt -86.85 -53.19 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -143.87 143.14 31.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.55 113.1 0.6 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -168.29 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.712 2.274 . . . . 0.0 112.319 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.3 m -78.41 142.2 37.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -124.39 150.81 45.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.3 t -58.15 129.07 40.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.88 15.54 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -120.24 -41.64 0.54 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 p -119.98 -3.37 10.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm 61.08 50.36 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -124.3 134.71 53.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -54.52 123.91 14.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.804 HG21 ' HB3' ' A' ' 30' ' ' SER . 62.5 mt -90.19 80.06 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -119.0 -58.51 1.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -72.69 -45.03 60.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.98 -154.96 8.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -115.67 -176.59 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.804 ' HB3' HG21 ' A' ' 25' ' ' ILE . 64.4 p -140.33 162.76 34.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 38' ' ' TRP . 5.0 tt -136.98 119.15 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.28 119.13 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.656 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -164.3 129.5 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp 54.29 47.34 23.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 49.17 26.56 1.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -127.43 -177.93 4.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -126.84 116.58 21.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.497 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.6 m95 -123.24 157.6 32.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.517 ' CD2' HG12 ' A' ' 25' ' ' ILE . 40.2 m170 -74.49 169.05 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 40' ' ' VAL . 45.3 t -74.42 -12.01 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.2 p -124.32 18.82 9.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.3 m -121.16 -31.28 4.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.656 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 10.4 t80 -72.97 83.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.22 163.23 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.0 t -44.09 165.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.583 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 11.4 tp-100 -105.04 -13.0 15.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 45.1 m -104.25 -43.47 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.2 p -104.15 -20.23 13.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.6 p 64.83 49.41 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 50' ' ' VAL . 5.1 p -106.98 129.79 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.5 mm -45.08 137.43 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.5 mt -124.06 108.57 12.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 t -132.87 -42.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.87 -61.7 2.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -140.09 148.74 42.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.352 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -168.3 170.87 9.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.422 ' HB ' ' CD2' ' A' ' 69' ' ' TYR . 3.0 mt -138.08 130.1 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 t -95.21 131.44 41.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 4.0 tmtt? -129.86 132.41 46.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.468 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 36.4 t0 44.18 31.51 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.3 31.65 41.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.452 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 21.5 t -136.41 129.51 17.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.616 0.722 . . . . 0.0 111.122 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 128.69 16.38 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.724 2.283 . . . . 0.0 112.32 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.583 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 58.7 m-85 -138.9 156.96 46.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.9 p -97.02 168.49 10.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -65.48 -5.47 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -88.32 -70.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' ALA . 58.5 m-20 -60.26 -56.24 23.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.422 ' CD2' ' HB ' ' A' ' 57' ' ' ILE . 17.3 t80 -43.02 -57.6 2.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -65.59 -16.88 64.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.94 -16.55 23.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' ASP . 9.2 mt-30 -96.89 -63.03 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 8.0 m-85 -100.73 -19.59 15.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.3 -47.13 91.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.0 p -42.77 -39.67 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.87 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.409 ' HA2' ' HD2' ' A' ' 77' ' ' PRO . . . -147.58 100.78 0.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.409 ' HD2' ' HA2' ' A' ' 76' ' ' GLY . 53.5 Cg_endo -69.76 -179.18 2.74 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' SER . 13.9 t -139.78 117.03 11.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' SER . 1.2 t 37.75 42.9 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.493 179.974 . . . . . . . . 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 -0.325 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -155.46 140.07 16.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 110.868 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 t -161.34 145.88 13.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.62 72.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -119.31 167.3 12.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -152.39 173.15 15.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.38 78.76 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.441 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 12.3 mtpp -113.31 103.09 55.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 8' ' ' LYS . 53.9 Cg_endo -69.79 137.63 35.81 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 11' ' ' LYS . 4.2 tp -84.52 143.35 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -101.68 70.72 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.9 pt -139.1 154.02 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.435 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 2.8 mpt_? -90.6 171.98 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.42 60.16 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.435 ' HD3' ' C ' ' A' ' 13' ' ' ARG . 53.9 Cg_endo -69.73 -175.7 1.24 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.718 2.279 . . . . 0.0 112.286 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.8 p -82.77 134.31 35.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -125.11 145.0 50.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.526 ' HA ' HD11 ' A' ' 25' ' ' ILE . 42.4 t -58.55 130.36 46.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.447 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -82.49 21.13 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.48 -42.6 0.26 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.9 p -120.02 -0.09 10.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.903 0.382 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt 58.53 52.01 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -123.72 132.19 53.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -50.79 125.52 13.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' A' ' 18' ' ' CYS . 75.9 mt -95.93 77.56 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.527 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 35.4 ttmt -102.9 70.21 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 5.8 m80 -174.28 160.32 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.5 43.41 2.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -134.04 42.13 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.318 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 99.7 p -92.6 160.05 15.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 tt -128.97 104.53 7.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.8 124.07 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.419 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -166.06 128.21 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.064 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mp 58.97 42.82 18.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 54.04 27.58 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -131.34 177.34 7.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -124.32 116.47 22.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.548 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -123.5 159.53 28.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -78.66 169.04 18.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.7 t -71.6 -20.37 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 p -116.17 21.1 13.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.6 m -123.21 -35.02 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 15.9 t80 -71.45 95.86 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -144.87 167.88 21.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.0 t -50.47 166.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.2 tp-100 -106.9 -15.85 14.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.1 m -99.09 -43.44 6.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.444 ' SG ' HG12 ' A' ' 50' ' ' VAL . 24.9 p -105.66 -20.11 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 m 63.96 54.8 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.444 HG12 ' SG ' ' A' ' 48' ' ' CYS . 7.4 p -110.95 133.05 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.515 HG22 HG23 ' A' ' 53' ' ' THR . 33.3 mm -47.29 128.35 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.6 mt -112.84 99.2 7.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.515 HG23 HG22 ' A' ' 51' ' ' ILE . 70.3 p -117.9 -43.61 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.31 -74.35 0.99 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -124.5 154.23 40.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.381 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -169.84 157.03 6.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.544 HG21 ' CZ ' ' A' ' 69' ' ' TYR . 7.3 mt -126.67 134.69 65.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.4 p -100.67 130.07 46.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.561 ' HE3' ' CE2' ' A' ' 73' ' ' PHE . 3.2 tmtt? -130.49 132.15 45.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.952 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.486 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 37.7 t70 40.59 39.83 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.04 37.57 60.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.404 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 21.3 t -142.95 122.46 7.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 130.25 19.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.23 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 64.6 m-85 -137.19 161.13 37.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 32.0 p -96.82 165.19 12.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.6 -5.78 4.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -88.97 -71.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 71' ' ' ALA . 57.7 m-20 -59.03 -58.17 9.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.544 ' CZ ' HG21 ' A' ' 57' ' ' ILE . 15.2 t80 -43.51 -55.88 3.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -57.34 -23.78 51.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.77 -21.95 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 7.2 mt-30 -87.74 -61.48 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CE2' ' HE3' ' A' ' 59' ' ' LYS . 5.8 m-85 -114.65 21.79 14.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -115.53 -37.41 1.09 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 76' ' ' GLY . 74.6 m -38.56 -46.48 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.388 . . . . 0.0 110.869 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 75' ' ' SER . . . 34.44 -124.24 0.49 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 98.11 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.702 2.268 . . . . 0.0 112.375 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -51.8 155.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 85.0 p -126.88 84.54 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.477 -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 -0.346 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -108.25 145.21 34.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -168.21 149.14 4.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.0 111.22 0.24 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -152.39 115.04 4.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.373 . . . . 0.0 110.884 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.6 p -126.38 177.21 6.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.16 73.38 0.93 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -97.53 151.27 37.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 121.22 7.92 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.71 2.273 . . . . 0.0 112.345 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.9 pt -59.13 -179.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.86 86.09 6.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.3 mt -87.21 91.86 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -54.55 -56.03 23.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.53 124.32 5.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.557 ' O ' ' CE1' ' A' ' 17' ' ' HIS . 53.3 Cg_endo -69.82 -167.9 0.25 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.287 . . . . 0.0 112.317 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 p -78.39 127.55 32.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.557 ' CE1' ' O ' ' A' ' 15' ' ' PRO . 10.6 m80 -125.71 140.92 52.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.471 ' HA ' HD11 ' A' ' 25' ' ' ILE . 49.3 t -53.24 133.17 39.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.46 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -82.14 18.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.37 -41.32 0.36 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -122.47 1.78 9.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp 55.6 49.23 16.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -120.77 136.17 54.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -51.65 123.55 10.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.471 HD11 ' HA ' ' A' ' 18' ' ' CYS . 91.7 mt -92.43 139.84 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -83.74 169.43 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -90.51 103.81 16.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.64 -47.14 0.91 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -108.24 83.69 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.917 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.8 p -146.23 164.55 31.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tt -127.57 112.74 15.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.02 125.89 30.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.459 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -163.64 134.81 4.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 34' ' ' LEU . 7.3 mp 51.36 43.83 29.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 54.17 26.42 6.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -127.79 -179.3 4.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -125.68 116.02 21.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.499 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 1.2 m95 -123.52 150.26 44.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -68.44 171.43 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 40' ' ' VAL . 56.8 t -75.5 -14.77 15.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.5 p -120.49 17.36 12.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.7 m -118.38 -39.05 3.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.459 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 9.5 t80 -65.02 86.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.09 164.14 28.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.0 t -49.53 167.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.589 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.1 tp-100 -108.09 -15.0 14.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.439 ' CG2' ' CG ' ' A' ' 68' ' ' ASP . 3.4 m -99.21 -41.77 7.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.478 ' SG ' HG12 ' A' ' 50' ' ' VAL . 27.6 p -109.29 -20.33 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 p 67.48 46.36 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.478 HG12 ' SG ' ' A' ' 48' ' ' CYS . 8.4 p -105.19 128.95 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.3 mm -43.82 137.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.0 mt -123.67 107.21 11.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 t -132.74 -39.06 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.04 -62.72 2.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -140.2 143.82 36.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -168.45 159.56 10.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 mt -126.09 135.96 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.6 t -98.03 134.08 41.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 3.6 tmtt? -130.31 135.55 48.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' LYS . 16.3 t70 38.52 32.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.14 37.93 23.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 59' ' ' LYS . 37.7 t -142.96 127.79 9.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.622 0.725 . . . . 0.0 111.109 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 130.42 19.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.589 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.1 m-85 -140.98 149.8 42.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 67' ' ' SER . 25.8 p -84.71 170.16 13.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -68.62 -6.58 26.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.421 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . 38.8 m -90.48 -70.71 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.439 ' CG ' ' CG2' ' A' ' 47' ' ' THR . 75.4 m-20 -55.92 -59.12 5.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -43.79 -55.66 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' SER . 12.0 m-70 -58.87 -22.79 59.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.77 -21.79 19.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.494 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 13.0 mt-30 -88.35 -59.93 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 6.4 m-85 -116.18 21.14 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -117.34 -38.96 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 70' ' ' HIS . 13.0 t -117.31 -52.63 2.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -39.66 155.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 90.13 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.238 . . . . 0.0 112.374 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -115.23 88.49 2.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.7 m -94.83 149.05 21.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.492 -179.982 . . . . . . . . 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 -0.341 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -151.45 156.44 40.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 110.835 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 p -131.54 148.86 52.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.74 -146.19 7.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.2 p -115.28 155.18 27.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 110.873 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -165.05 138.15 4.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.95 129.12 9.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -133.08 115.14 14.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.552 0.692 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 141.14 44.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.401 ' H ' HD13 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -83.13 166.2 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -95.51 89.42 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.3 mm -59.61 -45.58 94.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -158.2 126.97 5.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.44 75.18 0.42 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 162.81 40.65 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.2 t -63.25 140.86 58.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -111.18 146.56 36.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.595 ' HA ' HD11 ' A' ' 25' ' ' ILE . 52.8 t -55.42 131.34 45.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.431 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -82.72 18.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.05 -41.11 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.38 -1.61 10.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? 57.15 52.95 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -128.83 132.47 47.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -46.24 126.24 7.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.953 HG21 ' HB2' ' A' ' 30' ' ' SER . 42.5 mt -92.95 88.89 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -127.95 -60.23 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.551 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 6.1 p80 -70.46 81.7 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.25 -111.94 0.96 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -171.76 173.17 4.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.953 ' HB2' HG21 ' A' ' 25' ' ' ILE . 43.6 t -123.19 -176.16 3.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 38' ' ' TRP . 3.0 tt -135.18 117.08 15.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.78 114.25 6.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' CB ' ' CZ ' ' A' ' 43' ' ' PHE . . . -161.42 127.28 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 mp 61.5 41.24 12.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.3 t0 52.79 26.18 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -127.97 176.27 7.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -121.18 116.1 24.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.505 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 1.1 m95 -123.48 152.73 41.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.587 ' CD2' HG12 ' A' ' 25' ' ' ILE . 38.2 m170 -69.18 162.95 26.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 40' ' ' VAL . 45.0 t -70.67 -10.32 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 p -125.79 21.29 7.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.5 m -124.65 -31.14 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.407 ' CZ ' ' CB ' ' A' ' 33' ' ' ALA . 39.3 t80 -71.97 99.91 2.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -147.86 170.22 18.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.8 t -51.4 167.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.578 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.8 tp-100 -108.69 -18.0 13.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.2 m -97.85 -37.69 9.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.2 p -111.37 -20.91 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m 64.53 55.0 1.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -110.71 136.06 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.47 HG22 HG23 ' A' ' 53' ' ' THR . 44.4 mm -54.8 123.49 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.0 mt -110.25 104.68 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.47 HG23 HG22 ' A' ' 51' ' ' ILE . 74.4 p -118.21 -40.63 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.186 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.51 -83.96 0.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -116.34 148.32 40.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.928 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -165.93 158.04 14.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.458 ' CG2' ' CE2' ' A' ' 69' ' ' TYR . 3.7 mt -125.23 136.09 61.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.9 p -102.4 134.39 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.561 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 5.7 tmtm? -129.67 137.82 50.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.466 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 19.6 t0 39.92 26.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . 84.41 36.85 11.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 22.9 t -141.43 130.64 12.56 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.623 0.725 . . . . 0.0 111.093 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 129.4 17.58 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.65 2.233 . . . . 0.0 112.403 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 63.2 m-85 -139.56 152.93 47.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.7 p -88.8 170.6 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -68.54 -7.58 33.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.0 m -90.48 -71.41 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -55.61 -55.66 29.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.458 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 10.2 t80 -47.32 -53.72 12.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -60.91 -21.75 63.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.98 -20.33 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.526 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 5.3 mt-30 -89.8 -60.06 2.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.6 m-85 -116.58 21.25 13.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -115.02 -36.03 1.28 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.3 p -65.81 -28.61 69.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.929 0.395 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.39 -151.75 16.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -178.17 2.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.26 . . . . 0.0 112.36 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 95.3 p -146.21 170.46 16.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.8 m -130.16 41.13 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.497 179.996 . . . . . . . . 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 -0.337 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m -144.37 117.22 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 110.894 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -120.75 157.11 30.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.1 -146.2 18.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.465 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.0 m 44.59 42.22 5.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.893 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -116.22 133.86 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.67 94.16 1.75 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -141.47 124.91 9.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 124.08 10.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.23 . . . . 0.0 112.365 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.447 ' O ' HD12 ' A' ' 12' ' ' ILE . 17.0 pt -111.91 160.79 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -83.85 105.06 14.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.447 HD12 ' O ' ' A' ' 10' ' ' ILE . 5.1 mp -83.79 84.96 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.8 ttm-85 -144.83 146.63 32.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.75 108.64 0.98 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 89.18 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.1 m -115.0 42.06 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.813 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -69.56 143.76 53.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -52.3 128.56 25.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.45 17.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.29 -39.67 0.5 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -122.16 -3.78 9.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? 61.59 53.31 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -126.95 132.9 50.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -54.54 123.77 14.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.879 HG21 ' HB3' ' A' ' 30' ' ' SER . 29.9 mt -91.49 86.65 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -130.62 -50.01 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -85.71 56.75 4.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.98 -125.45 1.27 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.42 166.53 31.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.879 ' HB3' HG21 ' A' ' 25' ' ' ILE . 55.4 p -126.34 -179.51 4.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 38' ' ' TRP . 4.5 tt -139.11 118.4 12.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.78 121.31 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.519 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -167.02 137.98 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.053 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 34' ' ' LEU . 6.1 mp 49.96 40.26 20.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.1 t0 54.91 26.6 8.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -129.01 176.09 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -120.43 115.91 24.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.516 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -123.65 153.62 40.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.585 ' CD2' HG12 ' A' ' 25' ' ' ILE . 38.7 m170 -68.65 168.9 12.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 40' ' ' VAL . 53.9 t -74.58 -11.63 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.1 m -124.9 18.53 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.9 m -120.09 -32.08 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.519 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 10.7 t80 -71.99 81.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 161.75 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.3 t -44.21 167.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.59 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 8.1 tp-100 -106.53 -14.6 15.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.8 m -103.88 -38.39 7.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.414 ' SG ' HG12 ' A' ' 50' ' ' VAL . 22.6 p -110.01 -18.35 13.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.4 p 61.43 48.65 5.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 50' ' ' VAL . 5.5 p -105.62 121.19 57.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.2 mm -38.94 136.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.0 mt -123.27 106.68 10.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.27 -39.86 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.52 -78.88 0.91 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.49 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -120.96 151.66 39.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -172.61 163.94 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.8 mt -129.77 136.75 58.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 96.4 p -101.29 133.05 46.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.557 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 1.5 tmtt? -130.46 133.27 46.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.474 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 38.3 t70 39.57 37.63 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.44 38.08 45.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.437 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 26.1 t -142.71 125.84 9.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.719 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 128.28 15.85 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.59 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 60.4 m-85 -137.86 153.34 49.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 31.5 p -92.58 165.56 12.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -63.65 -6.04 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -88.57 -71.07 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 72' ' ' GLN . 81.7 m-20 -59.16 -56.89 16.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -42.85 -58.85 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -62.06 -18.87 62.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -93.95 -18.67 21.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' ASP . 12.3 mt-30 -94.51 -64.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.557 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 7.7 m-85 -97.93 -21.42 16.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.28 -47.46 90.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.449 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 77.5 p -91.26 75.54 6.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -97.61 -161.92 31.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 81.73 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.713 2.275 . . . . 0.0 112.329 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.5 t -68.86 -54.49 15.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.7 p -100.16 137.15 39.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.504 -179.97 . . . . . . . . 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 -0.324 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -152.1 178.39 9.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 p -172.03 150.66 2.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.88 -161.23 23.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -130.26 170.31 14.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -171.54 172.24 5.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.46 112.3 0.39 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -139.12 143.77 38.1 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.531 0.681 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 97.16 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.465 HG23 HG13 ' A' ' 12' ' ' ILE . 5.6 tt -38.65 -32.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.8 ttmt 70.77 53.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.465 HG13 HG23 ' A' ' 10' ' ' ILE . 81.6 mt -76.24 -59.67 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -69.73 176.14 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.92 61.18 1.05 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.596 ' O ' ' CD2' ' A' ' 17' ' ' HIS . 54.0 Cg_endo -69.74 175.17 8.44 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.669 2.246 . . . . 0.0 112.298 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.5 m -50.34 122.77 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 15' ' ' PRO . 5.3 m80 -107.15 153.25 22.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.8 ' HA ' HD11 ' A' ' 25' ' ' ILE . 34.5 t -60.04 148.26 36.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.621 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -94.98 8.21 43.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -117.28 -49.13 0.41 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.477 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -108.15 -8.69 15.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 61.96 45.39 7.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -123.87 129.9 51.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -37.42 130.31 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.8 HD11 ' HA ' ' A' ' 18' ' ' CYS . 57.1 mt -98.67 -2.81 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -78.71 45.0 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -133.83 -40.39 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.84 -94.05 1.26 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.52 165.02 26.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.811 0.339 . . . . 0.0 110.914 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 p -130.86 157.39 43.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -132.14 114.76 14.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.73 123.63 23.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.48 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -166.27 123.63 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.486 HD12 ' N ' ' A' ' 34' ' ' LEU . 6.1 mp 61.21 48.67 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 34' ' ' LEU . 2.7 p30 48.17 25.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -129.37 174.02 10.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.413 ' HB3' HD12 ' A' ' 25' ' ' ILE . 28.5 mt-30 -119.08 116.45 26.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.621 ' CD2' ' HB3' ' A' ' 19' ' ' ALA . 1.3 m95 -123.07 153.8 39.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.561 ' CD2' HG12 ' A' ' 25' ' ' ILE . 31.5 m170 -69.72 175.58 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 40' ' ' VAL . 58.8 t -77.8 -13.23 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -125.28 18.56 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.0 m -118.21 -29.24 5.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.48 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 24.9 t80 -75.37 79.11 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 167.88 17.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 64' ' ' TYR . 14.1 t -47.43 167.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.564 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.6 tp-100 -107.85 -14.8 14.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 97.1 m -101.56 -37.86 8.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.9 p -110.98 -20.28 12.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 m 64.18 52.37 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.808 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.401 HG12 ' HB2' ' A' ' 45' ' ' CYS . 9.5 p -106.98 137.03 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.1 mm -54.49 128.99 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.6 mt -117.22 108.57 15.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.2 p -122.23 -32.14 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.72 -90.32 1.33 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -108.49 146.33 33.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.824 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -165.24 156.6 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.402 ' CG2' ' CE2' ' A' ' 69' ' ' TYR . 3.5 mt -120.78 135.15 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.3 p -108.1 132.46 53.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.579 ' HE2' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -129.94 131.54 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.522 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 28.9 t70 45.36 33.65 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.55 27.84 56.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.435 HG11 ' OH ' ' A' ' 64' ' ' TYR . 22.6 t -129.4 122.92 21.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 111.137 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 130.82 20.04 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 61.3 m-85 -140.09 155.1 47.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.1 p -91.27 175.87 6.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -74.33 -7.1 51.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.7 m -90.86 -71.61 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.481 ' HB3' ' NE2' ' A' ' 72' ' ' GLN . 0.7 OUTLIER -55.12 -57.7 10.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.402 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 12.0 t80 -44.52 -56.85 3.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -62.04 -19.06 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.72 -18.57 21.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.481 ' NE2' ' HB3' ' A' ' 68' ' ' ASP . 2.0 mt-30 -99.11 -62.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CE2' ' HE2' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -96.72 -20.83 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.84 -45.77 93.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.6 m 63.57 41.85 6.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 110.884 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.42 ' HA2' ' HD2' ' A' ' 77' ' ' PRO . . . -123.95 112.54 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.42 ' HD2' ' HA2' ' A' ' 76' ' ' GLY . 54.2 Cg_endo -69.77 178.78 4.23 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.371 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.5 t -145.56 150.78 37.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 75.6 p 40.34 41.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.494 -179.966 . . . . . . . . 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 1.451 -0.342 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -161.75 129.34 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.368 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -169.28 143.11 2.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.21 176.21 23.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 t -165.77 154.04 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -109.16 170.56 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.71 148.29 4.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.1 pttt -170.66 153.25 4.09 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.566 0.698 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 166.01 29.05 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.768 ' O ' HD12 ' A' ' 10' ' ' ILE . 1.2 pp -84.63 162.65 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -119.07 53.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 pp -128.82 17.46 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -158.04 123.35 4.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 134.62 76.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.411 ' O ' ' CE1' ' A' ' 17' ' ' HIS . 53.7 Cg_endo -69.76 -170.28 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.395 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.2 m -48.43 123.08 6.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.411 ' CE1' ' O ' ' A' ' 15' ' ' PRO . 16.4 m80 -111.03 157.68 19.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.895 ' HA ' HD11 ' A' ' 25' ' ' ILE . 51.4 t -64.57 131.52 47.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.585 ' O ' ' CZ3' ' A' ' 38' ' ' TRP . . . -83.34 22.61 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.06 -40.6 0.28 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.3 p -121.43 -3.59 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt 62.38 42.96 8.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -115.44 138.06 51.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -51.16 125.69 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.895 HD11 ' HA ' ' A' ' 18' ' ' CYS . 64.9 mt -96.84 128.96 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -79.75 164.11 23.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -80.9 109.75 15.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 133.84 -44.16 1.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -107.99 84.65 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.4 p -149.83 151.39 33.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tt -122.6 108.74 13.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.11 132.79 44.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.461 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -169.27 138.28 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.8 mp 49.52 45.35 24.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 52.0 28.23 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -129.13 178.89 6.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -125.06 115.69 20.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.585 ' CZ3' ' O ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -124.04 159.46 29.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -75.48 167.03 22.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.495 ' O ' HG12 ' A' ' 40' ' ' VAL . 97.5 t -72.35 -10.62 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.2 p -126.88 21.67 6.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.0 m -123.65 -31.63 3.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.461 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 17.9 t80 -72.88 81.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.0 166.76 20.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.409 ' HB2' HG12 ' A' ' 50' ' ' VAL . 15.4 t -45.73 167.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.533 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 10.8 tp-100 -108.04 -17.84 13.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 50.0 m -96.43 -40.28 9.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.6 p -108.8 -24.33 11.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 t 70.88 53.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.409 HG12 ' HB2' ' A' ' 45' ' ' CYS . 8.0 p -111.22 137.15 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.0 mm -48.81 137.64 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.4 mt -125.71 106.97 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 t -131.95 -39.54 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.35 -69.07 1.42 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -131.41 135.22 46.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.875 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -158.61 157.03 31.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.2 mt -124.14 133.51 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.5 p -96.38 132.31 42.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -131.12 131.88 44.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.468 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 39.3 t0 39.56 37.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.47 36.7 43.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.45 HG11 ' HG2' ' A' ' 46' ' ' GLN . 21.7 t -142.92 123.5 8.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.661 0.744 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 126.98 13.96 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.709 2.272 . . . . 0.0 112.346 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.533 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 63.6 m-85 -132.27 159.68 38.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 67' ' ' SER . 28.9 p -95.04 165.09 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -64.93 -5.5 6.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.41 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 8.1 t -89.69 -71.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -57.79 -58.49 8.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -43.99 -56.85 3.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -55.8 -23.08 28.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.59 -22.37 18.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.54 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . 6.0 mt-30 -85.68 -62.45 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.54 ' CD1' ' HB3' ' A' ' 72' ' ' GLN . 3.7 m-85 -115.03 20.93 14.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -114.31 -35.34 1.47 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.0 t -142.76 125.02 15.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.948 0.404 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.95 97.8 0.11 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.446 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.39 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.303 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 t -102.28 150.22 23.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.2 m -161.79 177.26 10.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.817 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.508 -179.982 . . . . . . . . 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 1.451 -0.362 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -170.74 116.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -146.53 166.03 27.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.19 152.64 12.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -171.37 129.79 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 p -158.01 162.57 38.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.5 137.08 2.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.85 113.77 4.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.553 0.692 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 173.66 10.67 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.318 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.498 ' CG1' HG12 ' A' ' 12' ' ' ILE . 10.7 tp -105.54 150.57 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' CD ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -120.76 50.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.866 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.498 HG12 ' CG1' ' A' ' 10' ' ' ILE . 10.7 pt -101.5 153.15 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -171.23 105.92 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.478 ' O ' ' CD2' ' A' ' 17' ' ' HIS . . . -153.51 83.73 0.16 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -165.9 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 0.0 112.322 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 p 45.79 53.68 8.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.478 ' CD2' ' O ' ' A' ' 14' ' ' GLY . 5.7 m80 -70.7 135.35 48.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.579 ' HA ' HD11 ' A' ' 25' ' ' ILE . 15.2 t -41.38 156.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.529 ' HB3' ' CD2' ' A' ' 38' ' ' TRP . . . -100.64 -7.11 24.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.79 -42.69 1.52 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.463 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -109.14 -10.66 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt 59.56 50.05 7.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -128.33 132.02 48.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -40.48 129.82 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.579 HD11 ' HA ' ' A' ' 18' ' ' CYS . 60.7 mt -97.97 135.81 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -66.91 100.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.816 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -38.47 107.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.1 -36.9 1.83 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.448 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -121.03 66.78 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.01 148.03 43.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.524 HD13 ' CB ' ' A' ' 43' ' ' PHE . 5.2 tt -103.67 105.36 15.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.67 126.54 30.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -170.7 128.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.063 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp 60.21 42.06 15.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.5 t0 54.84 25.57 6.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -131.19 174.7 9.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -122.09 117.69 26.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.598 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.5 OUTLIER -123.14 147.29 46.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.444 ' NE2' HG12 ' A' ' 25' ' ' ILE . 30.0 m170 -66.08 172.66 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.83 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.488 ' O ' HG12 ' A' ' 40' ' ' VAL . 92.7 t -76.42 -10.94 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.4 p -123.17 16.95 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.5 m -118.15 -36.48 3.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.524 ' CB ' HD13 ' A' ' 31' ' ' LEU . 15.9 t80 -69.79 105.93 2.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -153.57 168.38 26.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.5 t -50.45 167.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.589 ' HB3' ' CE1' ' A' ' 64' ' ' TYR . 9.9 tp-100 -107.3 -19.51 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.401 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 59.1 m -96.85 -42.29 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.04 -21.58 13.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m 63.43 54.94 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.0 p -109.16 136.3 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.588 HG22 HG23 ' A' ' 53' ' ' THR . 36.7 mm -54.32 120.86 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 mt -105.68 103.33 12.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.588 HG23 HG22 ' A' ' 51' ' ' ILE . 69.4 p -115.91 -39.59 3.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.84 -84.51 0.77 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -114.67 157.45 23.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -169.19 158.84 8.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.528 ' HB ' ' CD2' ' A' ' 69' ' ' TYR . 3.2 mt -128.52 128.01 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.182 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.9 p -96.56 131.12 43.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 62' ' ' VAL . 7.7 tmtm? -131.02 132.79 45.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER 42.8 37.47 1.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.61 29.53 61.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.548 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 4.0 t -134.91 121.21 14.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.569 0.7 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 125.96 12.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.589 ' CE1' ' HB3' ' A' ' 46' ' ' GLN . 66.7 m-85 -132.91 159.53 39.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 30.3 p -94.4 172.87 7.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -69.94 -5.86 29.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.6 t -90.02 -71.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' ALA . 80.4 m-20 -57.94 -55.99 27.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.528 ' CD2' ' HB ' ' A' ' 57' ' ' ILE . 6.9 t80 -44.51 -53.97 6.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -68.12 -16.53 64.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -94.02 -16.86 23.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -98.12 -64.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.416 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 4.8 m-85 -105.23 20.87 18.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -108.03 -33.75 2.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.543 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.3 t -117.25 153.25 33.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.31 -68.9 1.44 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.534 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 178.66 4.35 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.332 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t -151.8 178.74 9.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.4 p -161.28 122.55 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.488 179.99 . . . . . . . . 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_