data_2ecn_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 2ecn _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 ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.791 0.329 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -164.99 148.97 8.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.6 t -41.84 156.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.3 m -101.66 -34.11 9.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 94.3 mt -67.91 -69.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 p -86.03 -40.99 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.0 ttp 62.48 51.75 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.31 -62.47 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.91 -41.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -128.2 164.2 23.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.904 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.16 134.33 55.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -71.48 -35.29 70.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD21 ' CD1' ' A' ' 41' ' ' ILE . 3.3 pp -151.93 170.87 18.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.3 mt -139.31 142.79 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 52.1 mt -100.3 156.18 35.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 2.92 3.12 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 p -111.67 17.52 19.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 68.66 44.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -137.22 118.22 14.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.571 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 8.9 p -112.25 157.81 20.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CD1' ' C ' ' A' ' 35' ' ' SER . 2.5 m-85 -150.43 130.46 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.0 p -79.88 166.56 21.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . 2.6 tp60 -55.86 -46.88 78.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -46.59 -64.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 43' ' ' LYS . 63.8 m -58.72 -64.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.426 ' CD1' HD21 ' A' ' 28' ' ' LEU . 79.0 mt -37.54 -48.12 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -65.32 -41.96 93.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.6 tmtm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.4 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.59 0.709 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -51.33 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.71 2.274 . . . . 0.0 112.342 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.7 mm -52.71 -60.87 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 97.1 m -54.97 -51.15 67.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.8 mp0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 30.7 mp0 -146.66 133.92 20.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.3 t -41.05 161.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.7 m -108.86 -38.16 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 89.1 mt -62.68 -59.89 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.5 p -96.44 -44.32 7.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.1 ttm 62.98 37.92 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -81.77 -49.88 9.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.48 -124.77 2.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -97.87 -179.37 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.947 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.429 ' CB ' ' HB2' ' A' ' 35' ' ' SER . . . -115.54 122.56 46.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.86 -43.58 83.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 pp -132.6 165.58 24.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 mp -138.17 134.07 44.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.68 157.09 47.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.558 0.694 . . . . 0.0 110.947 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 1.69 4.16 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.705 2.27 . . . . 0.0 112.34 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.2 p -116.24 27.28 9.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 60.74 52.75 4.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.061 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.568 ' CE1' HG22 ' A' ' 53' ' ' ILE . 36.0 m170 -143.94 111.1 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.653 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 60.7 p -109.67 168.28 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.653 ' CD1' ' C ' ' A' ' 35' ' ' SER . 2.7 m-85 -150.01 134.11 17.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.8 p -81.91 165.29 20.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -54.39 -46.4 73.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -50.82 -52.81 37.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 92.2 m -68.32 -59.88 2.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.6 mt -41.51 -44.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -64.64 -46.93 80.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.6 tttp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.1 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.614 0.721 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -46.92 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.568 HG22 ' CE1' ' A' ' 34' ' ' HIS . 53.2 mt -56.04 -55.18 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.5 m -59.89 -35.62 75.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.83 0.348 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HA ' ' N ' ' A' ' 26' ' ' ALA . 17.0 pt-20 -147.98 157.99 43.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.7 t -50.37 159.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.7 m -108.07 -24.31 11.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 88.5 mt -79.45 -66.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 p -80.47 -29.0 37.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.5 mtp 48.41 43.58 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -120.32 -59.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.33 -129.2 0.32 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.414 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 51.4 mtp180 -123.88 -175.18 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.853 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' N ' ' HA ' ' A' ' 17' ' ' GLU . . . -106.63 98.79 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -65.85 -45.2 83.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.4 ' C ' HD11 ' A' ' 28' ' ' LEU . 4.4 pp -137.3 142.31 41.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.7 mt -112.4 146.52 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.455 HD11 ' CE1' ' A' ' 36' ' ' PHE . 38.5 mt -102.38 157.17 34.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 0.31 5.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.8 p -113.08 20.59 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.467 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 65.38 53.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.484 ' CE1' HG23 ' A' ' 53' ' ' ILE . 40.7 m170 -143.7 118.97 10.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.651 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 20.4 p -108.81 163.87 12.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.651 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.2 m-85 -151.83 127.87 10.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.6 p -77.27 160.86 28.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -52.69 -41.96 64.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -60.26 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' ILE . 93.0 m -58.47 -65.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 40' ' ' CYS . 25.5 mt -37.5 -49.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -66.91 -48.09 69.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.926 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.2 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.64 0.733 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -43.32 2.68 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.484 HG23 ' CE1' ' A' ' 34' ' ' HIS . 38.8 mm -59.5 -26.02 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 62.3 m -95.97 -40.49 9.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.77 0.319 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -159.91 138.87 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.1 t -45.84 162.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.1 t -102.23 -44.06 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.19 -68.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.191 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 23' ' ' ASP . 21.1 p -89.97 -19.81 24.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 21' ' ' CYS . 10.3 ptt? 34.93 32.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 21' ' ' CYS . 2.3 m-20 -108.8 40.0 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ARG . . . 158.85 150.91 5.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.502 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' GLY . 32.0 mtm-85 -37.25 155.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' A' ' 35' ' ' SER . . . -92.55 140.69 29.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.077 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 27' ' ' ASP . 1.2 t0 -81.19 -32.64 33.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 pp -152.08 168.93 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.6 mt -129.56 138.77 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.432 HD12 ' CE1' ' A' ' 36' ' ' PHE . 59.2 mt -95.38 156.19 37.91 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.657 0.742 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -1.26 8.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.73 2.287 . . . . 0.0 112.384 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.6 p -108.2 16.74 22.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.457 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 68.71 48.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.548 ' CE1' HG23 ' A' ' 53' ' ' ILE . 39.2 m170 -141.51 124.12 15.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.627 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 74.8 p -107.96 160.54 15.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.9 m-85 -149.59 124.51 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.3 p -69.22 173.75 5.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -62.84 -42.08 99.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -53.9 -67.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 84.7 m -46.99 -60.96 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 42' ' ' ASP . 77.4 mt -47.73 -61.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' ILE . 21.2 t70 -36.8 -52.81 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 tptm . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.5 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.647 0.737 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -45.26 1.69 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.548 HG23 ' CE1' ' A' ' 34' ' ' HIS . 42.3 mm -52.19 -64.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 55' ' ' ARG . 72.1 m -48.09 -43.72 30.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 54' ' ' CYS . 14.6 ttp180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.756 0.312 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -155.52 136.92 14.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -43.7 159.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.8 m -101.26 -44.19 5.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.53 -66.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' MET . 28.7 p -88.51 -28.2 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' CYS . 8.2 ptt? 37.75 35.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -83.53 -45.56 13.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.65 -126.66 3.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.432 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.58 178.72 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.854 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.07 136.54 48.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -86.39 -34.53 20.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 pp -144.3 156.18 44.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 mt -127.17 132.86 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.4 mt -94.23 158.02 36.61 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -0.3 6.74 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.244 . . . . 0.0 112.306 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.5 p -109.07 12.68 25.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 71.76 43.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -136.66 111.95 9.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.644 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 79.5 p -105.49 164.71 11.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.644 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.0 m-85 -150.08 130.96 14.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.5 p -79.71 167.85 20.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -58.93 -44.69 91.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -48.41 -63.29 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.1 m -56.37 -64.88 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 73.4 mt -41.3 -41.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -67.32 -55.97 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.2 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.636 0.731 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.81 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.5 mt -51.56 -63.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 57.3 m -47.09 -50.11 20.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.796 0.331 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -143.11 143.63 31.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.7 t -60.04 161.21 7.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -96.72 -43.63 7.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.2 mt -64.73 -71.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -79.76 -32.32 40.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.8 ptt? 38.75 32.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -116.65 34.64 4.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.94 -113.14 0.34 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.541 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -131.21 -179.29 5.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -124.29 144.64 49.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.17 -31.31 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.429 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 3.4 pp -138.43 153.1 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.2 mt -125.64 142.74 41.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 43.4 mt -102.1 156.71 34.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 2.56 3.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.8 p -110.27 13.29 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 71.44 39.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -134.62 114.39 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.92 157.0 17.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.438 ' CE2' ' HG2' ' A' ' 52' ' ' PRO . 10.4 m-85 -140.85 127.23 19.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.0 p -77.32 153.25 34.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' LYS . 36.9 tp60 -44.19 -56.4 4.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 38' ' ' GLN . 36.2 mttt -38.11 -64.86 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 92.9 m -55.88 -58.27 8.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.4 mt -42.0 -37.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.35 -55.12 9.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.632 0.73 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.438 ' HG2' ' CE2' ' A' ' 36' ' ' PHE . 54.3 Cg_endo -69.7 -10.68 29.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.254 . . . . 0.0 112.371 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.6 mm -95.32 -63.29 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 93.5 m -41.28 -30.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.798 0.332 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -174.66 142.17 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t -42.21 158.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.4 m -111.58 -36.23 5.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.7 -63.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.3 p -97.44 -12.35 22.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.8 mmt 42.61 52.89 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.63 -63.35 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.51 -39.9 0.1 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -112.67 163.85 14.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.852 0.358 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.87 117.42 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -69.2 -43.81 73.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 41' ' ' ILE . 2.8 pp -139.84 149.92 44.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.6 mp -123.1 135.84 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.4 mt -91.87 156.47 42.52 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 0.07 6.14 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.321 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.4 p -113.54 27.07 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.487 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 59.85 54.85 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.536 ' CE1' HG22 ' A' ' 53' ' ' ILE . 32.3 m170 -147.5 117.4 7.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.619 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 58.1 p -111.37 165.49 11.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 35' ' ' SER . 2.6 m-85 -148.07 118.97 7.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -71.53 160.71 32.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.408 ' C ' ' CD ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -49.55 -49.97 44.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -47.9 -58.83 3.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 62.8 m -55.93 -65.69 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.411 ' CD1' HD21 ' A' ' 28' ' ' LEU . 45.0 mt -40.44 -53.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -46.43 -46.22 18.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.612 0.72 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.421 ' O ' ' CB ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.76 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.366 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.536 HG22 ' CE1' ' A' ' 34' ' ' HIS . 42.3 mm -50.21 -63.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 82.3 m -50.76 -33.43 23.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 12.3 ttt85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.449 ' CB ' ' HB3' ' A' ' 26' ' ' ALA . 33.6 mt-10 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 24' ' ' GLY . 17.3 mm-40 -141.4 157.53 45.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.5 t -74.28 162.03 29.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.5 m -98.32 -39.2 8.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.6 mt -68.97 -72.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' MET . 20.7 p -83.97 -24.38 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' CYS . 4.7 ptt? 34.84 45.78 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.84 -45.46 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.456 ' O ' ' CD ' ' A' ' 17' ' ' GLU . . . -102.86 -122.52 5.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -119.97 175.29 5.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HB3' ' CB ' ' A' ' 16' ' ' GLU . . . -96.69 128.87 44.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -82.78 -39.81 21.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.441 HD21 ' CD1' ' A' ' 41' ' ' ILE . 4.6 pp -145.0 157.26 44.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.7 mm -119.46 147.19 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.455 HD11 ' CE1' ' A' ' 36' ' ' PHE . 32.2 mt -109.89 156.61 39.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.557 0.694 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 1.61 4.22 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.416 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.4 p -111.36 19.19 18.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.478 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 62.1 53.97 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.478 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 41.4 m170 -144.32 117.37 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.553 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 85.0 p -102.83 160.78 14.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CD1' ' C ' ' A' ' 35' ' ' SER . 10.3 m-85 -151.92 121.29 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -67.71 169.89 8.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -60.91 -44.81 96.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -51.15 -69.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.6 m -44.77 -61.15 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.441 ' CD1' HD21 ' A' ' 28' ' ' LEU . 68.6 mt -45.53 -56.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -46.41 -58.93 3.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.8 mttm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.707 0.765 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.421 ' HA ' ' NH1' ' A' ' 55' ' ' ARG . 53.7 Cg_endo -69.81 -50.9 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.346 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.2 mm -50.41 -32.35 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 91.1 m -87.06 -53.31 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.421 ' NH1' ' HA ' ' A' ' 52' ' ' PRO . 9.4 ttp-105 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 21.2 mp0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -143.84 136.8 27.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.4 t -48.91 155.29 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.3 m -106.17 -34.23 7.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.6 mt -62.26 -48.52 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.094 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.4 p -116.68 -37.71 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.8 ttm 66.33 45.31 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -68.51 -72.68 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.1 -76.27 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HD3' ' C ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -126.15 166.75 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.35 149.52 25.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.459 ' OD2' ' N ' ' A' ' 38' ' ' GLN . 3.5 p30 -87.69 -29.26 21.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 29' ' ' ILE . 3.9 pp -152.67 170.52 20.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.459 ' N ' HD11 ' A' ' 28' ' ' LEU . 8.1 mt -137.99 130.6 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.8 mt -83.6 156.56 65.14 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.619 0.723 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 2.97 3.06 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.629 2.22 . . . . 0.0 112.38 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 p -110.18 19.14 19.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 66.14 54.59 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 31.1 m170 -143.48 118.1 9.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.496 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 11.8 p -102.92 156.98 17.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 35' ' ' SER . 6.7 m-85 -151.59 138.85 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.404 ' C ' ' OD2' ' A' ' 27' ' ' ASP . 23.9 p -94.12 154.63 17.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.459 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 13.8 mm-40 -46.07 -49.24 16.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -45.29 -46.19 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.5 m -77.78 -68.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 36' ' ' PHE . 78.5 mt -40.53 -30.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -77.82 -44.79 26.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.8 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.615 0.721 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -49.96 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.3 mt -57.31 -62.27 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 59.1 m -47.24 -41.5 18.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.851 0.358 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -174.99 136.8 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.8 t -47.16 160.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 m -113.35 -31.58 6.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.402 HD13 ' CD2' ' A' ' 36' ' ' PHE . 84.6 mt -66.9 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 22' ' ' MET . 17.1 p -101.26 -3.68 28.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 21' ' ' CYS . 2.9 mmt 35.57 53.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -72.46 -52.31 16.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.26 -38.0 0.52 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -102.7 147.4 26.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.81 124.41 39.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -76.46 -38.73 54.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 pp -149.93 155.16 39.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.1 mp -123.75 140.24 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.0 mt -99.33 157.08 34.66 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.605 0.717 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 1.11 4.72 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.64 2.227 . . . . 0.0 112.368 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.2 p -114.38 20.68 15.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 65.33 54.08 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.41 ' NE2' HG22 ' A' ' 53' ' ' ILE . 35.6 m170 -143.32 108.76 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.6 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 59.4 p -104.0 164.72 11.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.6 ' CD1' ' C ' ' A' ' 35' ' ' SER . 4.5 m-85 -146.3 116.9 7.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 38' ' ' GLN . 29.7 p -71.92 148.71 45.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -33.2 -50.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -53.24 -51.76 61.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 37' ' ' CYS . 56.7 m -64.1 -41.08 97.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.9 mm -47.21 -50.79 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 43' ' ' LYS . 29.1 t70 -56.37 -58.71 6.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' ASP . 5.7 tppt? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.607 0.718 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -39.22 6.77 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.41 HG22 ' NE2' ' A' ' 34' ' ' HIS . 8.2 mm -66.15 -66.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 92.9 m -41.2 -46.23 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.794 0.33 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -174.14 137.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.7 t -52.6 162.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.2 t -109.13 -34.7 6.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 90.0 mt -68.78 -69.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.2 p -85.14 -43.44 13.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 25.9 mtp 65.33 42.25 3.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.426 ' CG ' ' N ' ' A' ' 24' ' ' GLY . 5.1 p-10 -78.32 -52.4 8.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.426 ' N ' ' CG ' ' A' ' 23' ' ' ASP . . . -140.15 -136.01 3.29 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.63 167.49 20.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.46 138.15 41.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.48 -33.06 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 pp -154.17 166.48 32.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 mt -131.87 137.22 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.8 mt -94.24 156.05 39.27 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.66 0.743 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.45 3.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.4 p -116.17 24.82 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 61.68 48.53 5.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.567 ' CE1' HG23 ' A' ' 53' ' ' ILE . 38.7 m170 -138.76 108.23 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.484 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -107.71 161.34 14.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.811 -179.714 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 35' ' ' SER . 8.9 m-85 -149.59 137.09 20.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.5 p -77.51 165.47 24.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -52.82 -42.9 65.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -55.97 -69.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 97.9 m -46.88 -57.01 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 56.3 mt -50.09 -53.09 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -42.91 -41.55 3.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.675 0.75 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -48.74 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.675 2.25 . . . . 0.0 112.38 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.567 HG23 ' CE1' ' A' ' 34' ' ' HIS . 50.1 mt -49.58 -50.51 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.2 m -69.5 -44.4 71.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.795 0.331 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -159.36 151.91 21.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.0 t -44.53 162.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.0 m -112.46 -34.88 5.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.12 -49.02 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.2 p -114.52 -26.64 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.1 mtp 54.19 45.78 26.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -55.21 -52.93 61.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.53 -42.18 0.11 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.436 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -118.03 172.35 7.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -137.19 112.17 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.89 -47.6 77.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.448 ' CD2' HD13 ' A' ' 41' ' ' ILE . 2.9 pp -134.9 166.48 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.6 mt -136.93 146.01 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.5 mt -102.42 156.31 35.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.645 0.736 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 2.74 3.28 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.668 2.246 . . . . 0.0 112.355 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.1 p -117.89 27.2 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.446 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 60.12 53.24 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 39.8 m170 -143.67 112.12 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.524 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 12.3 m -110.27 158.56 18.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.524 ' CD1' ' C ' ' A' ' 35' ' ' SER . 2.1 m-85 -142.65 114.85 8.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 p -67.42 155.66 38.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -45.66 -52.92 10.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -43.7 -59.78 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 41' ' ' ILE . 73.0 m -58.69 -62.24 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.448 HD13 ' CD2' ' A' ' 28' ' ' LEU . 87.1 mt -37.91 -50.83 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -57.54 -55.9 28.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.8 mttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 37.5 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.643 0.735 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -50.92 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.41 HG21 ' NE2' ' A' ' 34' ' ' HIS . 31.7 mm -48.57 -51.6 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 75.5 m -66.89 -30.87 71.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HA ' ' N ' ' A' ' 26' ' ' ALA . 12.5 mp0 -146.29 139.93 26.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.5 t -42.72 159.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.2 m -102.61 -42.01 6.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 93.8 mt -59.52 -68.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.7 p -88.94 -33.38 17.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.3 ptt? 40.73 39.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.07 -43.59 9.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.95 -103.33 2.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -132.97 -176.34 4.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.327 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.429 ' N ' ' HA ' ' A' ' 17' ' ' GLU . . . -103.79 128.64 51.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.96 -39.23 26.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' A' ' 41' ' ' ILE . 4.3 pp -146.58 167.31 24.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.2 mm -127.22 144.65 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -105.55 158.68 31.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 0.0 110.923 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -0.09 6.36 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.38 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.6 p -108.91 16.76 22.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 66.89 44.58 2.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -134.68 130.58 36.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.494 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 20.4 p -113.74 158.36 21.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' ' 35' ' ' SER . 28.6 m-85 -151.2 131.64 13.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -81.71 163.09 22.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -49.82 -50.6 44.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -48.44 -61.6 1.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.8 m -53.55 -63.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.459 HD13 ' CD2' ' A' ' 28' ' ' LEU . 54.1 mt -43.33 -40.89 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.62 -38.31 84.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 37.6 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.689 0.756 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -42.3 3.53 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.4 mm -50.74 -49.87 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 57.3 m -56.81 -36.57 70.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.78 0.324 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -174.7 147.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.0 t -44.61 165.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.4 t -112.93 -32.08 6.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 93.4 mt -72.13 -53.58 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -95.24 -37.27 11.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 11.9 mtm 58.98 36.05 24.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -82.89 -71.66 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.82 -162.58 12.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -57.29 -178.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.19 139.95 47.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.419 ' CG ' ' HG2' ' A' ' 38' ' ' GLN . 1.4 m-20 -76.04 -35.82 59.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.413 HD23 ' CD1' ' A' ' 41' ' ' ILE . 4.5 pp -144.13 157.1 44.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.8 mt -131.36 130.14 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.404 ' CD1' ' HB2' ' A' ' 51' ' ' CYS . 60.8 mt -88.79 156.07 50.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.594 0.712 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 3.08 2.96 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.722 2.282 . . . . 0.0 112.348 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.7 p -108.59 18.61 20.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 65.9 39.93 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -134.95 122.28 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 56.0 p -119.31 161.25 20.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CD1' ' C ' ' A' ' 35' ' ' SER . 6.3 m-85 -150.39 132.38 15.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.8 p -77.55 150.36 34.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.419 ' HG2' ' CG ' ' A' ' 27' ' ' ASP . 4.7 mm-40 -42.41 -57.24 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -38.55 -59.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' ILE . 82.2 m -62.05 -63.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' CYS . 75.0 mt -36.01 -44.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -76.13 -43.11 44.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.404 ' HB2' ' CD1' ' A' ' 30' ' ' LEU . 20.7 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.559 0.695 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.408 ' HG2' ' CE2' ' A' ' 36' ' ' PHE . 53.0 Cg_endo -69.8 -50.51 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.6 mm -50.19 -57.43 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 57.3 m -54.0 -35.62 62.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.1 mp0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.861 0.362 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -163.09 155.87 18.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.4 t -59.04 162.78 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 m -103.94 -44.36 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.62 -67.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.0 p -85.39 -27.61 25.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.8 ptt? 39.56 33.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -111.89 45.13 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.44 -141.21 6.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -96.22 -175.0 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -121.6 125.43 46.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -75.21 -41.85 56.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 pp -139.99 155.25 47.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mt -125.27 128.32 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.1 mt -89.01 157.22 48.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.11 3.8 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.745 2.297 . . . . 0.0 112.304 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.0 p -113.16 22.71 14.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 62.51 46.44 5.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.493 ' CE1' ' CG2' ' A' ' 53' ' ' ILE . 29.7 m170 -138.24 106.96 5.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.583 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 6.9 m -102.69 161.06 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.1 m-85 -145.64 136.87 24.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -84.04 163.67 19.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -53.49 49.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -41.71 -66.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.1 m -52.52 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.2 mt -40.59 -35.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -72.07 -51.95 19.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.8 tptt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.4 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -42.94 3.0 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.493 ' CG2' ' CE1' ' A' ' 34' ' ' HIS . 2.3 mp -53.37 -51.26 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 92.9 m -68.2 -37.53 81.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.806 0.336 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -173.59 147.59 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 t -51.91 163.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.4 m -105.14 -39.73 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.407 HD11 ' CD2' ' A' ' 36' ' ' PHE . 68.1 mt -67.85 -66.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -81.48 -35.57 30.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 49.0 mtp 52.2 42.58 30.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -109.03 -45.54 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.72 -159.1 15.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -79.38 -176.04 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.17 120.94 43.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.18 -41.84 63.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 pp -144.27 154.59 43.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 30' ' ' LEU . 61.2 mt -125.01 138.65 53.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.458 ' N ' HG22 ' A' ' 29' ' ' ILE . 55.0 mt -94.29 156.29 38.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.561 0.696 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 3.0 3.0 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.2 p -114.37 20.16 15.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.547 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 66.16 54.94 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 36.9 m170 -146.18 117.97 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.655 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 59.8 p -113.33 160.51 18.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.655 ' CD1' ' C ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -146.88 119.74 8.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -67.97 167.71 13.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -54.86 -45.16 74.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -66.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 95.5 m -50.65 -60.87 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 36' ' ' PHE . 77.4 mt -44.84 -44.44 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.19 -45.38 77.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.0 tttt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.6 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.644 0.735 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.291 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.467 HG21 ' CE1' ' A' ' 34' ' ' HIS . 44.1 mm -49.77 -55.91 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.158 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 92.8 m -60.73 -37.68 82.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.794 0.33 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -157.41 128.83 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.3 t -54.33 160.17 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -100.79 -40.83 7.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 80.1 mt -66.01 -63.09 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.3 p -88.3 -40.04 13.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.2 ttm 50.81 45.2 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -104.39 -48.2 3.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.25 -116.93 4.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -123.8 159.3 29.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.799 0.333 . . . . 0.0 110.857 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.23 130.9 37.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.93 -38.97 44.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 pp -133.95 159.12 41.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.0 mt -127.61 136.53 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.9 mt -95.17 156.09 38.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 0.0 110.936 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 1.08 4.74 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.649 2.232 . . . . 0.0 112.336 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.0 p -115.01 25.74 10.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.82 51.1 4.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.439 ' CE1' ' CG2' ' A' ' 53' ' ' ILE . 39.6 m170 -141.63 109.54 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.596 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -108.74 161.1 15.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.748 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 35' ' ' SER . 2.8 m-85 -146.9 139.62 25.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.9 p -83.95 166.54 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -58.55 -45.21 89.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.9 -62.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.5 m -58.97 -64.07 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.1 mt -40.88 -35.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -77.21 -52.08 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.612 0.72 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -49.2 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.439 ' CG2' ' CE1' ' A' ' 34' ' ' HIS . 25.6 mm -43.8 -67.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 89.7 m -48.03 -41.87 26.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.418 ' C ' ' HD3' ' A' ' 55' ' ' ARG . 2.0 tmt_? . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.766 0.317 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -148.67 140.44 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.6 t -44.29 158.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.0 m -99.93 -42.73 6.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.16 -67.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 23' ' ' ASP . 27.2 p -89.26 -30.79 18.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.9 ptp 39.86 29.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' CYS . 29.2 m-20 -108.52 46.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.97 -108.75 0.3 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.19 160.37 40.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.33 130.77 47.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.69 -39.46 44.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.436 HD22 ' CD1' ' A' ' 41' ' ' ILE . 3.4 pp -142.45 166.68 24.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -131.24 128.03 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.2 mt -81.85 156.84 69.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.672 0.748 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 2.65 3.32 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.73 2.287 . . . . 0.0 112.366 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.2 p -114.55 21.27 14.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 66.14 46.78 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.472 ' CG ' HD11 ' A' ' 53' ' ' ILE . 41.6 m170 -139.2 113.85 9.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.622 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 53.8 p -104.77 164.19 11.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 35' ' ' SER . 5.7 m-85 -151.03 131.76 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -80.33 160.18 25.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -49.83 -42.07 46.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -53.9 -63.24 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.2 m -56.02 -57.78 10.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.436 ' CD1' HD22 ' A' ' 28' ' ' LEU . 84.1 mt -45.93 -49.09 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.81 -44.59 90.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.2 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.585 0.707 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -49.07 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.305 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.472 HD11 ' CG ' ' A' ' 34' ' ' HIS . 62.1 mt -55.44 -35.32 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 68.0 m -81.69 -32.55 31.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.925 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.785 0.326 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -154.98 134.96 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.8 t -54.21 159.07 2.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.8 t -112.23 -23.39 10.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mt -77.38 -65.79 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.4 p -96.87 -25.64 15.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.4 mtt 56.26 46.88 20.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -56.48 -44.06 80.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.57 -30.83 0.36 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.533 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 mmm-85 -130.03 177.08 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.25 145.05 40.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -91.01 -32.48 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 pp -155.88 149.43 24.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.6 mt -117.32 143.03 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.0 mt -94.67 156.23 38.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.573 0.701 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 2.56 3.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.9 p -115.97 20.1 14.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.415 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 69.07 49.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.479 ' CE1' HG23 ' A' ' 53' ' ' ILE . 45.8 m170 -140.78 112.43 7.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.574 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.0 t -107.1 162.98 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 35' ' ' SER . 4.0 m-85 -148.22 120.53 8.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 p -70.83 161.91 30.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -49.07 -51.41 31.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -45.12 -64.32 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.2 m -52.71 -62.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CD1' ' O ' ' A' ' 36' ' ' PHE . 52.1 mt -43.36 -39.48 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -68.85 -50.17 52.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 45.2 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.626 0.727 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -48.76 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.479 HG23 ' CE1' ' A' ' 34' ' ' HIS . 77.6 mt -52.19 -50.41 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 98.5 m -69.96 -39.81 75.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.402 ' C ' ' HD3' ' A' ' 55' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' HB3' ' A' ' 26' ' ' ALA . 32.3 mt-10 -159.78 145.97 15.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.5 t -60.56 159.32 10.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.4 t -95.29 -45.5 7.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.4 -74.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -80.02 -33.43 39.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.7 ptp 40.02 36.41 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.08 -54.35 4.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.73 -114.79 3.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -117.29 173.79 6.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' HB3' ' C ' ' A' ' 17' ' ' GLU . . . -103.76 140.34 37.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -84.19 -36.95 22.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.475 ' CD2' HD13 ' A' ' 41' ' ' ILE . 4.5 pp -142.43 167.66 21.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.3 mt -133.84 135.8 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -92.83 158.38 37.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.32 2.83 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.8 p -110.66 14.34 22.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 71.14 31.92 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -124.55 111.23 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.644 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 1.2 m -103.72 162.87 12.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.644 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.3 m-85 -149.49 148.94 30.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -90.79 169.74 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -61.86 -44.92 95.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -49.36 -61.57 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 83.5 m -59.58 -64.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.475 HD13 ' CD2' ' A' ' 28' ' ' LEU . 71.0 mt -40.12 -44.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -46.5 -60.3 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 tttp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.639 0.733 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -13.15 34.22 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 2.236 . . . . 0.0 112.359 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.6 mm -86.45 -59.97 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 73.6 m -62.16 -27.02 68.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.416 ' C ' ' HD3' ' A' ' 55' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -100.32 42.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.906 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 p -141.8 164.51 30.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.31 133.8 3.29 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 p -81.92 -53.46 6.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -102.5 147.05 27.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.71 55.76 0.11 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.452 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -123.66 170.31 10.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.3 t -52.2 134.4 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -123.74 115.74 21.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -53.22 147.21 10.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.59 30.25 5.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.8 m -45.39 -51.55 11.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -50.22 149.22 3.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -128.62 -46.25 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -136.66 162.78 32.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -164.99 148.97 8.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.6 t -41.84 156.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.3 m -101.66 -34.11 9.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 94.3 mt -67.91 -69.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 p -86.03 -40.99 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.0 ttp 62.48 51.75 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.31 -62.47 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.91 -41.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -128.2 164.2 23.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.904 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.16 134.33 55.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -71.48 -35.29 70.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD21 ' CD1' ' A' ' 41' ' ' ILE . 3.3 pp -151.93 170.87 18.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.3 mt -139.31 142.79 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 52.1 mt -100.3 156.18 35.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 2.92 3.12 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 p -111.67 17.52 19.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 68.66 44.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -137.22 118.22 14.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.571 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 8.9 p -112.25 157.81 20.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CD1' ' C ' ' A' ' 35' ' ' SER . 2.5 m-85 -150.43 130.46 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.0 p -79.88 166.56 21.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . 2.6 tp60 -55.86 -46.88 78.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -46.59 -64.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 43' ' ' LYS . 63.8 m -58.72 -64.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.426 ' CD1' HD21 ' A' ' 28' ' ' LEU . 79.0 mt -37.54 -48.12 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -65.32 -41.96 93.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.6 tmtm? -53.76 -51.73 62.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.7 m95 -67.32 98.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 m -38.26 -58.98 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.7 83.62 4.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.534 ' H ' ' NE ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -89.44 27.34 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 50' ' ' ASN . 5.0 t-80 -54.52 146.96 15.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -40.14 -26.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' HIS . 77.2 m-20 -51.99 142.02 16.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.4 t -91.4 130.48 39.39 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.709 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -51.33 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.71 2.274 . . . . 0.0 112.342 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.7 mm -52.71 -60.87 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 97.1 m -54.97 -51.15 67.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -41.41 -43.24 2.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.3 mt -53.43 -43.44 68.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 57.32 43.16 23.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.8 tmm? -77.4 106.59 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.4 m 54.48 40.1 31.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.02 -105.23 0.83 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.459 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -139.44 160.76 39.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -62.77 104.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -142.9 109.75 5.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.5 m -92.33 119.14 31.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 t -120.67 -57.33 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.906 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.06 148.09 7.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 177.29 5.71 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.1 p -128.65 108.15 10.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.8 p -67.14 -60.63 2.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.489 -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 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -136.51 149.65 48.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 110.886 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -150.01 157.96 43.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.07 -109.23 1.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -142.75 113.96 7.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.866 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 t -132.61 87.46 2.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.09 -153.1 0.42 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.461 ' N ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -168.93 142.32 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.7 t -126.37 134.47 66.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.059 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -125.15 102.29 7.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -133.69 173.59 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.3 mt -121.59 82.08 1.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.0 t -65.93 -40.51 91.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.28 142.0 48.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -112.58 -54.7 2.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.8 mp0 -93.7 149.33 21.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 30.7 mp0 -146.66 133.92 20.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.3 t -41.05 161.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.7 m -108.86 -38.16 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 89.1 mt -62.68 -59.89 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.5 p -96.44 -44.32 7.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.1 ttm 62.98 37.92 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -81.77 -49.88 9.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.48 -124.77 2.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -97.87 -179.37 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.947 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' CB ' ' HB2' ' A' ' 35' ' ' SER . . . -115.54 122.56 46.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.86 -43.58 83.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 pp -132.6 165.58 24.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 mp -138.17 134.07 44.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.68 157.09 47.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.558 0.694 . . . . 0.0 110.947 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 1.69 4.16 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.705 2.27 . . . . 0.0 112.34 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.2 p -116.24 27.28 9.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 60.74 52.75 4.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.061 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.568 ' CE1' HG22 ' A' ' 53' ' ' ILE . 36.0 m170 -143.94 111.1 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.653 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 60.7 p -109.67 168.28 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.653 ' CD1' ' C ' ' A' ' 35' ' ' SER . 2.7 m-85 -150.01 134.11 17.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.8 p -81.91 165.29 20.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -54.39 -46.4 73.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -50.82 -52.81 37.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 92.2 m -68.32 -59.88 2.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.6 mt -41.51 -44.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -64.64 -46.93 80.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -54.92 -55.06 34.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.52 ' O ' ' CD2' ' A' ' 44' ' ' TRP . 62.2 p-90 -102.09 114.54 28.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.3 m -133.25 155.63 49.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -174.05 166.88 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 -95.21 40.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -130.27 142.16 50.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -98.17 42.96 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -105.64 171.15 7.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.1 t -105.84 130.86 22.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.614 0.721 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -46.92 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.568 HG22 ' CE1' ' A' ' 34' ' ' HIS . 53.2 mt -56.04 -55.18 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.5 m -59.89 -35.62 75.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -69.24 -32.37 71.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.01 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -102.68 106.73 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.8 mtt -113.28 -179.05 3.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -44.73 112.84 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.17 -136.91 5.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.69 101.15 7.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.321 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -136.31 134.15 37.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -70.72 122.7 20.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.8 m -153.17 174.76 13.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 t -46.1 -57.1 4.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -115.09 86.32 0.41 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.09 11.74 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.0 p -71.0 168.68 16.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.7 m -66.33 179.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.534 -179.959 . . . . . . . . 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 1.452 -0.285 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.0 p -163.6 115.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.389 . . . . 0.0 110.857 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -142.82 126.62 17.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.95 118.05 1.8 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 p -124.02 120.97 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.819 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 t -103.25 154.93 18.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.88 104.68 0.21 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -158.68 163.0 37.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.4 m -58.3 148.16 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.87 75.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? -69.8 -6.81 34.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.6 mt -86.84 39.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.0 m -61.72 -47.35 85.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.48 152.5 43.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -111.04 40.01 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.44 175.21 10.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HA ' ' N ' ' A' ' 26' ' ' ALA . 17.0 pt-20 -147.98 157.99 43.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.7 t -50.37 159.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.7 m -108.07 -24.31 11.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 88.5 mt -79.45 -66.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 p -80.47 -29.0 37.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.5 mtp 48.41 43.58 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -120.32 -59.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.33 -129.2 0.32 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.414 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 51.4 mtp180 -123.88 -175.18 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.853 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' N ' ' HA ' ' A' ' 17' ' ' GLU . . . -106.63 98.79 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -65.85 -45.2 83.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.4 ' C ' HD11 ' A' ' 28' ' ' LEU . 4.4 pp -137.3 142.31 41.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.7 mt -112.4 146.52 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.455 HD11 ' CE1' ' A' ' 36' ' ' PHE . 38.5 mt -102.38 157.17 34.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 0.31 5.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.8 p -113.08 20.59 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.467 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 65.38 53.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.484 ' CE1' HG23 ' A' ' 53' ' ' ILE . 40.7 m170 -143.7 118.97 10.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.651 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 20.4 p -108.81 163.87 12.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.651 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.2 m-85 -151.83 127.87 10.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.6 p -77.27 160.86 28.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -52.69 -41.96 64.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -60.26 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' ILE . 93.0 m -58.47 -65.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 40' ' ' CYS . 25.5 mt -37.5 -49.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -66.91 -48.09 69.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -50.26 -47.54 55.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -102.69 107.24 18.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.6 m -120.24 40.91 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -93.23 -54.24 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.466 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 11.5 mmp_? -73.64 171.03 14.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -108.0 -66.31 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 41.3 mtt-85 -127.58 -42.19 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -38.64 154.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.2 t -91.2 127.1 52.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.64 0.733 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -43.32 2.68 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.484 HG23 ' CE1' ' A' ' 34' ' ' HIS . 38.8 mm -59.5 -26.02 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 62.3 m -95.97 -40.49 9.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -50.05 -61.66 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 pp -47.11 -35.44 7.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -69.65 87.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 32.8 tpp -102.21 141.65 34.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.8 p -93.6 156.34 16.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.61 -81.08 0.16 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.537 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.96 157.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -133.39 131.58 40.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 40.84 40.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.1 m -112.24 124.7 53.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.3 t -124.52 110.04 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -167.1 142.43 7.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -178.68 2.45 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.637 2.224 . . . . 0.0 112.355 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.2 p -166.85 117.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -75.02 172.4 12.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.457 -179.974 . . . . . . . . 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 -0.31 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -98.92 101.73 13.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.843 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 t -167.92 158.19 10.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.816 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.8 159.99 21.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -87.33 114.47 23.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.1 p -58.12 -49.78 75.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.52 -75.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 52.63 39.97 29.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.855 0.36 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.0 t -119.01 139.27 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -159.22 143.5 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -150.79 131.43 13.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.7 mt -51.98 108.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -49.97 -46.26 52.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.91 161.06 15.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -102.29 -42.83 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -39.5 158.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -159.91 138.87 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.1 t -45.84 162.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.1 t -102.23 -44.06 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.19 -68.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.191 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 23' ' ' ASP . 21.1 p -89.97 -19.81 24.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 21' ' ' CYS . 10.3 ptt? 34.93 32.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 21' ' ' CYS . 2.3 m-20 -108.8 40.0 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ARG . . . 158.85 150.91 5.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.502 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' GLY . 32.0 mtm-85 -37.25 155.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' A' ' 35' ' ' SER . . . -92.55 140.69 29.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.077 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 27' ' ' ASP . 1.2 t0 -81.19 -32.64 33.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 pp -152.08 168.93 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.6 mt -129.56 138.77 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.432 HD12 ' CE1' ' A' ' 36' ' ' PHE . 59.2 mt -95.38 156.19 37.91 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.657 0.742 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -1.26 8.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.73 2.287 . . . . 0.0 112.384 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.6 p -108.2 16.74 22.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.457 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 68.71 48.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.548 ' CE1' HG23 ' A' ' 53' ' ' ILE . 39.2 m170 -141.51 124.12 15.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.627 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 74.8 p -107.96 160.54 15.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.9 m-85 -149.59 124.51 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.3 p -69.22 173.75 5.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -62.84 -42.08 99.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -53.9 -67.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 84.7 m -46.99 -60.96 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 42' ' ' ASP . 77.4 mt -47.73 -61.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' ILE . 21.2 t70 -36.8 -52.81 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -56.34 -51.33 68.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -80.51 81.78 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.1 p -97.01 96.77 8.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.62 131.7 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -78.43 58.81 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -130.81 162.38 29.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -113.97 45.68 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -117.85 154.67 31.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.5 t -105.51 134.41 19.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -45.26 1.69 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.548 HG23 ' CE1' ' A' ' 34' ' ' HIS . 42.3 mm -52.19 -64.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 55' ' ' ARG . 72.1 m -48.09 -43.72 30.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 54' ' ' CYS . 14.6 ttp180 -36.69 -46.85 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 57' ' ' GLN . 18.5 mt -51.14 -56.62 11.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' LEU . 29.0 tt0 -34.63 -53.08 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.4 ttm -108.28 105.79 15.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.0 t -68.1 114.76 6.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.18 -177.31 49.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.98 174.48 6.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -72.48 85.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -55.77 106.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -163.11 115.48 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.1 m -131.74 135.55 46.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -131.83 -94.59 0.62 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.541 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 86.81 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.2 m -75.86 122.45 24.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -48.74 125.45 10.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.486 -179.935 . . . . . . . . 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 -0.306 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -110.69 111.18 22.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.833 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -145.51 119.83 9.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.21 66.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 m -74.28 101.59 4.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 t -117.06 109.17 16.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.63 -47.02 0.78 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.1 mtt85 52.66 47.8 23.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 10' ' ' LYS . 86.5 t -120.42 141.56 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' N ' HG12 ' A' ' 9' ' ' VAL . 11.6 ptmt -80.83 43.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -152.18 118.29 5.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.82 130.93 37.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.1 t -174.87 129.32 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.1 133.3 40.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -99.43 -41.68 7.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -174.32 163.87 3.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -155.52 136.92 14.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -43.7 159.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.8 m -101.26 -44.19 5.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.53 -66.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' MET . 28.7 p -88.51 -28.2 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' CYS . 8.2 ptt? 37.75 35.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -83.53 -45.56 13.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.65 -126.66 3.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.432 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.58 178.72 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.854 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.07 136.54 48.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -86.39 -34.53 20.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 pp -144.3 156.18 44.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 mt -127.17 132.86 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.4 mt -94.23 158.02 36.61 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -0.3 6.74 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.244 . . . . 0.0 112.306 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.5 p -109.07 12.68 25.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 71.76 43.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -136.66 111.95 9.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.644 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 79.5 p -105.49 164.71 11.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.644 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.0 m-85 -150.08 130.96 14.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.5 p -79.71 167.85 20.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -58.93 -44.69 91.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -48.41 -63.29 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.1 m -56.37 -64.88 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 73.4 mt -41.3 -41.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -67.32 -55.97 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.33 -64.04 0.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -61.94 129.87 42.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.9 m -80.6 51.2 1.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 15.0 p-10 -115.7 100.99 8.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 mtp-105 -118.59 44.37 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -128.31 139.93 52.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -47.85 -21.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -57.31 142.92 41.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.2 t -99.0 126.02 39.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.636 0.731 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.81 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.5 mt -51.56 -63.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 57.3 m -47.09 -50.11 20.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -52.34 -37.82 57.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.0 mt -69.85 -57.3 5.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -71.65 77.69 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 34.7 mmm -128.85 170.37 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.445 HG23 ' N ' ' A' ' 60' ' ' GLY . 93.6 m -57.96 143.8 41.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.445 ' N ' HG23 ' A' ' 59' ' ' THR . . . 156.89 -84.95 0.13 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.83 115.3 21.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.319 . . . . 0.0 111.088 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -46.75 122.41 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -161.13 139.49 9.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' SER . 8.2 t -79.95 67.71 5.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' SER . 86.3 p -34.79 -43.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 169.28 152.83 8.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.533 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 149.36 66.68 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.685 2.257 . . . . 0.0 112.341 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.2 t -169.84 130.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.4 p -100.59 135.22 42.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.818 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.452 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.6 m -154.45 171.23 19.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -170.41 157.25 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.6 131.83 4.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 m -109.54 150.96 27.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -97.46 170.46 9.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.52 50.6 1.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -124.46 46.31 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.9 t -142.86 125.56 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -73.27 120.12 18.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -168.64 140.52 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.4 tp -110.27 91.8 3.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 p -132.64 89.91 2.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -85.8 138.48 32.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -84.3 35.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -103.89 146.43 28.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -143.11 143.63 31.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.7 t -60.04 161.21 7.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -96.72 -43.63 7.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.2 mt -64.73 -71.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -79.76 -32.32 40.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.8 ptt? 38.75 32.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -116.65 34.64 4.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.94 -113.14 0.34 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.541 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -131.21 -179.29 5.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -124.29 144.64 49.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.17 -31.31 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.429 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 3.4 pp -138.43 153.1 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.2 mt -125.64 142.74 41.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 43.4 mt -102.1 156.71 34.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 2.56 3.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.8 p -110.27 13.29 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 71.44 39.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -134.62 114.39 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.92 157.0 17.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.438 ' CE2' ' HG2' ' A' ' 52' ' ' PRO . 10.4 m-85 -140.85 127.23 19.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.0 p -77.32 153.25 34.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' LYS . 36.9 tp60 -44.19 -56.4 4.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 38' ' ' GLN . 36.2 mttt -38.11 -64.86 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 92.9 m -55.88 -58.27 8.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.4 mt -42.0 -37.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.35 -55.12 9.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -46.72 -53.42 11.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.474 ' O ' ' CG ' ' A' ' 44' ' ' TRP . 8.1 p-90 -99.43 122.89 43.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.3 p -144.45 130.02 19.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -149.97 173.35 13.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -94.13 25.15 3.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -103.97 142.21 34.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.415 ' O ' ' CD ' ' A' ' 49' ' ' ARG . 1.2 ppt_? -106.5 32.24 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -115.09 142.21 46.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 14.1 t -56.08 124.02 57.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.632 0.73 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.438 ' HG2' ' CE2' ' A' ' 36' ' ' PHE . 54.3 Cg_endo -69.7 -10.68 29.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.254 . . . . 0.0 112.371 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.6 mm -95.32 -63.29 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 93.5 m -41.28 -30.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -44.75 -52.25 8.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.1 -32.63 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -99.26 64.28 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mtp -50.27 158.96 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.6 m -119.54 121.63 39.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.05 47.65 3.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.56 38.48 30.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 111.084 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -96.87 -52.94 3.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -75.04 -61.28 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.9 t -118.57 145.97 44.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.2 m -152.41 156.65 39.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.1 164.4 18.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 102.34 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.9 p -50.92 118.1 2.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.4 m -78.68 -55.94 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.505 179.985 . . . . . . . . 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 -0.313 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 p -139.25 122.29 16.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 p -150.14 157.92 43.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.73 148.03 9.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 m -39.43 105.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -91.15 42.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.91 80.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.6 92.83 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 t -126.43 35.73 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -125.17 102.88 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.52 117.93 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mt -125.44 93.85 3.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.5 p -139.48 108.87 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 15' ' ' GLU . 13.3 t70 -47.84 159.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 14' ' ' ASP . 2.0 tt0 -33.71 -44.82 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -139.57 159.98 40.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -174.66 142.17 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t -42.21 158.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.4 m -111.58 -36.23 5.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.7 -63.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.3 p -97.44 -12.35 22.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.8 mmt 42.61 52.89 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.63 -63.35 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.51 -39.9 0.1 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -112.67 163.85 14.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.852 0.358 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.87 117.42 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -69.2 -43.81 73.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 41' ' ' ILE . 2.8 pp -139.84 149.92 44.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.6 mp -123.1 135.84 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.4 mt -91.87 156.47 42.52 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 0.07 6.14 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.321 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.4 p -113.54 27.07 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.487 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 59.85 54.85 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.536 ' CE1' HG22 ' A' ' 53' ' ' ILE . 32.3 m170 -147.5 117.4 7.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.619 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 58.1 p -111.37 165.49 11.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 35' ' ' SER . 2.6 m-85 -148.07 118.97 7.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -71.53 160.71 32.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.408 ' C ' ' CD ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -49.55 -49.97 44.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -47.9 -58.83 3.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 62.8 m -55.93 -65.69 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.411 ' CD1' HD21 ' A' ' 28' ' ' LEU . 45.0 mt -40.44 -53.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -46.43 -46.22 18.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -64.81 -54.28 33.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -42.48 110.28 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.6 p -93.82 -44.25 8.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.11 116.77 6.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.429 ' CD ' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -98.71 130.35 45.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.413 ' N ' ' HD3' ' A' ' 47' ' ' ARG . 1.9 p-80 -160.54 116.63 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -38.53 -33.57 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.43 ' OD1' ' C ' ' A' ' 50' ' ' ASN . 0.8 OUTLIER -69.87 156.97 38.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.9 t -81.33 137.25 48.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.421 ' O ' ' CB ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.76 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.366 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.536 HG22 ' CE1' ' A' ' 34' ' ' HIS . 42.3 mm -50.21 -63.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 82.3 m -50.76 -33.43 23.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 12.3 ttt85 -41.21 -51.62 3.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.56 -40.97 8.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 40.3 48.09 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 47.8 ttp -71.59 130.86 42.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.1 t -55.31 116.73 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 178.58 -70.48 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.25 167.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -85.91 162.73 18.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -67.91 -64.15 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 m 48.01 44.4 18.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.0 m -95.49 175.32 6.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.12 89.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.8 Cg_endo -69.76 3.03 3.01 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.347 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 67' ' ' PRO . 77.8 p -34.92 136.77 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 m -80.96 120.42 24.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.43 180.0 . . . . . . . . 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 -0.325 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t -158.77 116.95 2.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.877 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -152.43 171.55 17.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.71 -104.58 0.94 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t 66.63 42.31 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -71.43 161.31 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.55 82.68 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -102.64 146.28 28.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 110.83 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.4 m -65.74 166.91 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -103.36 91.87 4.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -96.58 159.25 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.42 ' N ' HD21 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -169.44 162.8 10.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.462 HG21 ' N ' ' A' ' 14' ' ' ASP . 7.8 t -86.25 -44.2 12.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.462 ' N ' HG21 ' A' ' 13' ' ' THR . 0.3 OUTLIER -47.39 140.7 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -95.2 -49.97 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.449 ' CB ' ' HB3' ' A' ' 26' ' ' ALA . 33.6 mt-10 -131.15 172.28 12.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 24' ' ' GLY . 17.3 mm-40 -141.4 157.53 45.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.5 t -74.28 162.03 29.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.5 m -98.32 -39.2 8.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.6 mt -68.97 -72.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' MET . 20.7 p -83.97 -24.38 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' CYS . 4.7 ptt? 34.84 45.78 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.84 -45.46 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.456 ' O ' ' CD ' ' A' ' 17' ' ' GLU . . . -102.86 -122.52 5.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -119.97 175.29 5.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HB3' ' CB ' ' A' ' 16' ' ' GLU . . . -96.69 128.87 44.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -82.78 -39.81 21.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.441 HD21 ' CD1' ' A' ' 41' ' ' ILE . 4.6 pp -145.0 157.26 44.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.7 mm -119.46 147.19 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.455 HD11 ' CE1' ' A' ' 36' ' ' PHE . 32.2 mt -109.89 156.61 39.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.557 0.694 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 1.61 4.22 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.416 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.4 p -111.36 19.19 18.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.478 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 62.1 53.97 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.478 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 41.4 m170 -144.32 117.37 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.553 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 85.0 p -102.83 160.78 14.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CD1' ' C ' ' A' ' 35' ' ' SER . 10.3 m-85 -151.92 121.29 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -67.71 169.89 8.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -60.91 -44.81 96.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -51.15 -69.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.6 m -44.77 -61.15 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.441 ' CD1' HD21 ' A' ' 28' ' ' LEU . 68.6 mt -45.53 -56.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -46.41 -58.93 3.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -53.1 -46.77 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' SER . 65.8 m95 -68.48 106.07 2.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' TRP . 16.1 m -35.09 138.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.22 40.1 1.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -83.97 -33.78 24.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -110.15 161.82 15.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.19 20.41 13.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.0 176.9 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.5 t -100.82 129.6 27.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.707 0.765 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.421 ' HA ' ' NH1' ' A' ' 55' ' ' ARG . 53.7 Cg_endo -69.81 -50.9 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.346 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.2 mm -50.41 -32.35 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 91.1 m -87.06 -53.31 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' NH1' ' HA ' ' A' ' 52' ' ' PRO . 9.4 ttp-105 -42.1 -33.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' GLN . 83.0 mt -66.12 -53.36 38.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' LEU . 14.9 mm-40 -37.64 -40.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.7 mtp -60.68 114.73 3.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -75.13 -57.72 3.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.126 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.48 152.04 33.45 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -124.95 137.44 54.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 111.104 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -68.09 158.6 32.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.1 144.5 31.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.5 p -122.97 41.49 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.4 m -38.3 -44.41 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.4 77.69 1.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 0.96 4.89 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.727 2.284 . . . . 0.0 112.34 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 m -76.78 173.05 12.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.1 t 58.27 42.02 22.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.518 179.991 . . . . . . . . 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 -0.309 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 m -134.09 42.59 2.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -88.92 177.63 6.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.08 51.48 2.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.457 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 p -174.67 111.55 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -132.89 124.25 27.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.44 57.91 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.5 mtt85 -150.7 153.73 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -73.47 156.22 6.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 11' ' ' GLN . 11.5 mptt -78.58 93.05 4.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 10' ' ' LYS . 13.5 mm100 34.44 43.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.1 mt -131.92 77.4 1.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.5 p -119.36 86.49 2.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.03 128.78 38.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -113.13 30.69 6.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 21.2 mp0 -107.3 157.72 17.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -143.84 136.8 27.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.4 t -48.91 155.29 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.3 m -106.17 -34.23 7.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.6 mt -62.26 -48.52 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.094 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.4 p -116.68 -37.71 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.8 ttm 66.33 45.31 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -68.51 -72.68 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.1 -76.27 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HD3' ' C ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -126.15 166.75 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.35 149.52 25.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.459 ' OD2' ' N ' ' A' ' 38' ' ' GLN . 3.5 p30 -87.69 -29.26 21.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 29' ' ' ILE . 3.9 pp -152.67 170.52 20.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.459 ' N ' HD11 ' A' ' 28' ' ' LEU . 8.1 mt -137.99 130.6 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.8 mt -83.6 156.56 65.14 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.619 0.723 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 2.97 3.06 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.629 2.22 . . . . 0.0 112.38 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 p -110.18 19.14 19.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 66.14 54.59 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 31.1 m170 -143.48 118.1 9.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.496 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 11.8 p -102.92 156.98 17.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 35' ' ' SER . 6.7 m-85 -151.59 138.85 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.404 ' C ' ' OD2' ' A' ' 27' ' ' ASP . 23.9 p -94.12 154.63 17.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.459 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 13.8 mm-40 -46.07 -49.24 16.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -45.29 -46.19 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.5 m -77.78 -68.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 36' ' ' PHE . 78.5 mt -40.53 -30.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -77.82 -44.79 26.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -57.12 -57.29 13.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.411 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 59.0 p-90 -91.52 125.46 36.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.6 m -129.64 107.79 9.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.52 128.31 47.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -39.56 -44.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -90.95 162.47 14.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.43 ' O ' ' CD ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -93.07 33.06 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -77.91 160.51 28.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.8 t -80.77 131.02 61.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.721 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -49.96 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.3 mt -57.31 -62.27 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 59.1 m -47.24 -41.5 18.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -51.39 -47.35 62.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 mt -66.47 -43.43 85.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -92.72 87.33 5.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.6 tpt -80.54 -47.19 14.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.1 t -39.79 157.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.05 -146.81 43.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -164.83 171.46 14.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.75 -58.89 3.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -39.69 154.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.7 m -48.7 124.72 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -69.5 138.16 53.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.08 157.86 12.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 112.29 3.05 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.5 p -50.61 -55.93 14.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 t 68.48 42.21 1.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.486 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.3 p -156.75 129.89 7.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 0.0 110.789 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 m -125.34 152.37 44.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.61 133.63 21.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -112.08 145.33 39.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -137.81 137.76 38.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.47 55.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -100.0 92.12 5.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.922 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.409 ' C ' ' HD2' ' A' ' 10' ' ' LYS . 31.0 m -74.78 124.43 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -136.43 124.78 23.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -119.83 124.66 46.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp 40.58 41.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.6 m -83.13 44.57 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' GLU . 1.3 p-10 -111.06 137.54 48.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 14' ' ' ASP . 14.3 pt-20 33.44 34.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 14' ' ' ASP . 86.9 mt-10 -151.28 154.23 36.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -174.99 136.8 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.8 t -47.16 160.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 m -113.35 -31.58 6.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.402 HD13 ' CD2' ' A' ' 36' ' ' PHE . 84.6 mt -66.9 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 22' ' ' MET . 17.1 p -101.26 -3.68 28.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 21' ' ' CYS . 2.9 mmt 35.57 53.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -72.46 -52.31 16.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.26 -38.0 0.52 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -102.7 147.4 26.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.81 124.41 39.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -76.46 -38.73 54.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 pp -149.93 155.16 39.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.1 mp -123.75 140.24 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.0 mt -99.33 157.08 34.66 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.605 0.717 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 1.11 4.72 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.64 2.227 . . . . 0.0 112.368 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.2 p -114.38 20.68 15.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 65.33 54.08 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.41 ' NE2' HG22 ' A' ' 53' ' ' ILE . 35.6 m170 -143.32 108.76 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.6 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 59.4 p -104.0 164.72 11.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.6 ' CD1' ' C ' ' A' ' 35' ' ' SER . 4.5 m-85 -146.3 116.9 7.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 38' ' ' GLN . 29.7 p -71.92 148.71 45.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -33.2 -50.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -53.24 -51.76 61.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 37' ' ' CYS . 56.7 m -64.1 -41.08 97.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.9 mm -47.21 -50.79 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 43' ' ' LYS . 29.1 t70 -56.37 -58.71 6.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' ASP . 5.7 tppt? -35.01 -56.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.46 ' CH2' ' HB2' ' A' ' 52' ' ' PRO . 97.8 m95 -70.57 89.51 0.72 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.948 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.6 t -71.78 -33.98 69.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -88.89 51.67 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.417 ' HD3' ' N ' ' A' ' 48' ' ' HIS . 3.2 tmt_? -67.77 131.18 45.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.511 ' CD2' ' N ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -158.72 165.51 34.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.5 tpt85 -39.06 -51.57 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -48.66 157.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.0 t -104.94 133.91 19.91 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.607 0.718 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.46 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 53.8 Cg_endo -69.76 -39.22 6.77 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.41 HG22 ' NE2' ' A' ' 34' ' ' HIS . 8.2 mm -66.15 -66.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 92.9 m -41.2 -46.23 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -39.02 -40.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 57' ' ' GLN . 41.5 mt -78.19 -53.54 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 56' ' ' LEU . 5.7 mt-30 -34.38 104.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.463 ' HG2' ' N ' ' A' ' 59' ' ' THR . 57.1 ttm -44.48 161.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.463 ' N ' ' HG2' ' A' ' 58' ' ' MET . 1.7 m 69.91 45.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -139.88 -46.3 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.18 148.91 50.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.357 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -89.88 89.53 7.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -88.69 41.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.1 t 47.13 46.1 16.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.1 p -89.24 121.86 31.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.79 -97.19 0.11 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.8 Cg_endo -69.74 -21.68 33.23 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.326 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 67' ' ' PRO . 67.3 m -35.31 108.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.1 p -97.89 90.4 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.477 -179.956 . . . . . . . . 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 -0.287 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -132.9 159.8 38.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -97.49 149.7 21.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.76 42.67 59.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 m -150.3 163.9 37.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -99.06 -45.65 5.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.76 55.2 30.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -72.47 122.79 21.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 110.833 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.439 HG13 ' N ' ' A' ' 10' ' ' LYS . 94.3 t -114.0 136.9 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' HG13 ' A' ' 9' ' ' VAL . 21.3 pttm -122.67 120.02 32.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -153.08 135.61 15.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.456 HD13 ' N ' ' A' ' 13' ' ' THR . 1.0 OUTLIER -126.39 164.19 21.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.456 ' N ' HD13 ' A' ' 12' ' ' LEU . 1.8 t -157.66 121.56 4.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.05 135.74 53.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -50.94 -53.46 32.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -86.34 151.02 23.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -174.14 137.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.7 t -52.6 162.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.2 t -109.13 -34.7 6.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 90.0 mt -68.78 -69.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.2 p -85.14 -43.44 13.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 25.9 mtp 65.33 42.25 3.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' CG ' ' N ' ' A' ' 24' ' ' GLY . 5.1 p-10 -78.32 -52.4 8.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.426 ' N ' ' CG ' ' A' ' 23' ' ' ASP . . . -140.15 -136.01 3.29 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.63 167.49 20.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.46 138.15 41.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.48 -33.06 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 pp -154.17 166.48 32.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 mt -131.87 137.22 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.8 mt -94.24 156.05 39.27 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.66 0.743 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.45 3.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.4 p -116.17 24.82 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 61.68 48.53 5.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.567 ' CE1' HG23 ' A' ' 53' ' ' ILE . 38.7 m170 -138.76 108.23 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.484 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -107.71 161.34 14.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.811 -179.714 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 35' ' ' SER . 8.9 m-85 -149.59 137.09 20.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.5 p -77.51 165.47 24.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -52.82 -42.9 65.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -55.97 -69.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 97.9 m -46.88 -57.01 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 56.3 mt -50.09 -53.09 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -42.91 -41.55 3.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -85.23 -67.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -47.5 -60.98 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.6 m -80.32 59.74 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -94.63 -44.95 7.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -105.88 -53.72 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.461 ' CD2' ' H ' ' A' ' 48' ' ' HIS . 0.1 OUTLIER -107.55 175.52 5.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.1 mtp85 -130.09 40.17 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -98.13 155.89 16.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.1 t -75.4 118.06 67.92 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.675 0.75 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -48.74 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.675 2.25 . . . . 0.0 112.38 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.567 HG23 ' CE1' ' A' ' 34' ' ' HIS . 50.1 mt -49.58 -50.51 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.2 m -69.5 -44.4 71.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.0 -35.69 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 57' ' ' GLN . 49.5 mt -53.62 -41.79 67.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 56' ' ' LEU . 13.3 pt20 -34.6 110.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.2 152.11 17.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.9 t -115.93 -9.72 11.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -178.86 125.66 1.0 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.52 122.27 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.08 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -132.36 161.08 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -133.8 145.56 49.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' SER . 19.7 t -103.73 149.48 24.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' SER . 1.4 t -37.59 155.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.833 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -54.02 179.92 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 135.04 29.48 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.647 2.232 . . . . 0.0 112.327 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.1 t -50.62 156.71 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.3 p -120.93 152.65 38.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 119.136 -0.814 . . . . 0.0 112.477 -179.988 . . . . . . . . 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 -0.31 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 t -148.41 136.64 21.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 t -152.96 129.13 10.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.74 -105.56 1.15 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' SER . 36.5 m -69.3 -51.58 35.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' SER . 40.5 m 35.94 37.92 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.26 87.9 0.48 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.73 97.56 11.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.5 m -48.22 148.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.74 74.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.924 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -139.28 136.67 35.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.5 mt -127.04 107.45 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.8 p -59.64 -45.77 91.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.32 150.77 19.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.41 -43.32 88.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -102.48 176.77 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -159.36 151.91 21.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.0 t -44.53 162.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.0 m -112.46 -34.88 5.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.12 -49.02 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.2 p -114.52 -26.64 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.1 mtp 54.19 45.78 26.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -55.21 -52.93 61.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.53 -42.18 0.11 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.436 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -118.03 172.35 7.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -137.19 112.17 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.89 -47.6 77.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.448 ' CD2' HD13 ' A' ' 41' ' ' ILE . 2.9 pp -134.9 166.48 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.6 mt -136.93 146.01 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.5 mt -102.42 156.31 35.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.645 0.736 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 2.74 3.28 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.668 2.246 . . . . 0.0 112.355 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.1 p -117.89 27.2 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.446 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 60.12 53.24 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 39.8 m170 -143.67 112.12 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.524 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 12.3 m -110.27 158.56 18.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.524 ' CD1' ' C ' ' A' ' 35' ' ' SER . 2.1 m-85 -142.65 114.85 8.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 p -67.42 155.66 38.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -45.66 -52.92 10.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -43.7 -59.78 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 41' ' ' ILE . 73.0 m -58.69 -62.24 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.448 HD13 ' CD2' ' A' ' 28' ' ' LEU . 87.1 mt -37.91 -50.83 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -57.54 -55.9 28.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -52.48 -52.49 54.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -88.78 42.02 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 t -38.21 -49.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.815 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -63.98 98.72 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -150.65 115.99 5.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -72.32 168.06 19.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.74 -37.94 14.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -66.99 165.44 15.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 37.5 t -84.26 134.9 42.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.643 0.735 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -50.92 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.41 HG21 ' NE2' ' A' ' 34' ' ' HIS . 31.7 mm -48.57 -51.6 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 75.5 m -66.89 -30.87 71.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -43.05 -60.97 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.78 -27.31 64.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -94.39 77.02 3.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -94.22 23.94 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.0 t -75.52 137.76 41.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 116.92 -68.95 0.29 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.431 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 60.05 43.3 14.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.361 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -49.89 -58.01 6.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -82.33 119.85 24.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.8 t -141.09 125.72 17.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.7 p -123.23 156.82 34.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.87 122.06 0.8 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 152.35 69.03 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.8 m -160.84 144.61 13.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 t 46.09 42.37 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.523 -179.97 . . . . . . . . 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 -0.348 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -84.43 175.36 9.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.913 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 p -134.29 129.53 35.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.23 129.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.455 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -129.95 143.8 50.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.81 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -134.86 140.57 45.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.93 66.99 0.31 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -87.1 133.7 33.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 10' ' ' LYS . 58.5 t -88.72 136.77 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' N ' HG12 ' A' ' 9' ' ' VAL . 3.3 mppt? -56.34 116.12 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -103.47 42.58 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 mt -65.17 111.88 3.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.4 p -109.67 -48.68 3.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -104.24 128.14 51.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -83.68 -54.98 4.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -119.7 176.04 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HA ' ' N ' ' A' ' 26' ' ' ALA . 12.5 mp0 -146.29 139.93 26.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.5 t -42.72 159.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.2 m -102.61 -42.01 6.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 93.8 mt -59.52 -68.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.7 p -88.94 -33.38 17.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.3 ptt? 40.73 39.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.07 -43.59 9.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.95 -103.33 2.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -132.97 -176.34 4.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.327 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' N ' ' HA ' ' A' ' 17' ' ' GLU . . . -103.79 128.64 51.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.96 -39.23 26.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' A' ' 41' ' ' ILE . 4.3 pp -146.58 167.31 24.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.2 mm -127.22 144.65 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -105.55 158.68 31.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 0.0 110.923 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -0.09 6.36 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.38 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.6 p -108.91 16.76 22.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 66.89 44.58 2.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -134.68 130.58 36.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.494 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 20.4 p -113.74 158.36 21.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' ' 35' ' ' SER . 28.6 m-85 -151.2 131.64 13.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -81.71 163.09 22.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -49.82 -50.6 44.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -48.44 -61.6 1.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.8 m -53.55 -63.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.459 HD13 ' CD2' ' A' ' 28' ' ' LEU . 54.1 mt -43.33 -40.89 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.62 -38.31 84.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -72.67 -67.53 0.55 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.483 ' CZ3' ' HD3' ' A' ' 52' ' ' PRO . 7.6 p-90 -76.8 174.77 10.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.476 ' N ' ' CE3' ' A' ' 44' ' ' TRP . 4.7 t 72.39 43.86 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -104.77 -38.94 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -104.21 -42.16 5.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -116.06 155.77 27.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -116.81 41.01 2.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -120.91 147.62 45.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 37.6 t -55.35 115.12 8.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.689 0.756 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.483 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 53.7 Cg_endo -69.75 -42.3 3.53 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.4 mm -50.74 -49.87 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 57.3 m -56.81 -36.57 70.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -59.83 -59.52 5.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.457 ' C ' ' CD1' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -61.47 -34.18 75.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -57.93 105.81 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 59' ' ' THR . 5.2 mmm -86.21 100.79 12.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 58' ' ' MET . 26.0 p 36.11 38.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.48 -114.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.19 117.45 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -133.49 98.43 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -58.23 139.72 54.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 57.7 m -91.81 145.92 24.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.0 t -55.6 -43.67 76.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.55 -147.45 17.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 100.97 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.638 2.226 . . . . 0.0 112.352 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 m -84.8 158.82 20.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.4 p -56.57 -55.39 34.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.497 179.997 . . . . . . . . 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 1.452 -0.293 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -95.99 174.51 6.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.379 . . . . 0.0 110.845 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -94.01 102.51 14.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.74 -166.79 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -130.67 153.82 48.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -57.29 155.63 8.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.91 170.2 33.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.519 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.21 41.32 20.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.377 . . . . 0.0 110.898 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.2 t -40.72 133.76 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -111.07 55.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -127.24 -8.91 5.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.57 105.97 5.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.2 t -170.11 129.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -102.05 154.04 19.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -113.24 -49.68 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -106.53 177.11 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -174.7 147.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.0 t -44.61 165.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.4 t -112.93 -32.08 6.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 93.4 mt -72.13 -53.58 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -95.24 -37.27 11.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 11.9 mtm 58.98 36.05 24.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -82.89 -71.66 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.82 -162.58 12.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -57.29 -178.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.19 139.95 47.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.419 ' CG ' ' HG2' ' A' ' 38' ' ' GLN . 1.4 m-20 -76.04 -35.82 59.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.413 HD23 ' CD1' ' A' ' 41' ' ' ILE . 4.5 pp -144.13 157.1 44.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.8 mt -131.36 130.14 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.404 ' CD1' ' HB2' ' A' ' 51' ' ' CYS . 60.8 mt -88.79 156.07 50.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.594 0.712 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 3.08 2.96 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.722 2.282 . . . . 0.0 112.348 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.7 p -108.59 18.61 20.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 65.9 39.93 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -134.95 122.28 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 56.0 p -119.31 161.25 20.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CD1' ' C ' ' A' ' 35' ' ' SER . 6.3 m-85 -150.39 132.38 15.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.8 p -77.55 150.36 34.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.419 ' HG2' ' CG ' ' A' ' 27' ' ' ASP . 4.7 mm-40 -42.41 -57.24 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -38.55 -59.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' ILE . 82.2 m -62.05 -63.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' CYS . 75.0 mt -36.01 -44.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -76.13 -43.11 44.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -58.62 -61.26 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -63.11 103.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.0 t -91.8 80.65 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.13 169.42 13.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -116.13 34.35 5.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.429 ' CG ' ' ND2' ' A' ' 50' ' ' ASN . 2.6 p80 -169.5 110.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.68 -31.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.512 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -40.05 142.73 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.404 ' HB2' ' CD1' ' A' ' 30' ' ' LEU . 20.7 t -56.0 132.72 74.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.408 ' HG2' ' CE2' ' A' ' 36' ' ' PHE . 53.0 Cg_endo -69.8 -50.51 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.6 mm -50.19 -57.43 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.427 ' HA ' ' CB ' ' A' ' 57' ' ' GLN . 57.3 m -54.0 -35.62 62.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -44.21 -37.8 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 58' ' ' MET . 2.1 pp -105.11 -30.97 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 56' ' ' LEU . 14.6 tm0? -33.93 93.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 56' ' ' LEU . 12.3 mmt 35.88 49.12 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.2 35.51 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.11 86.1 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.445 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.85 92.26 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -115.64 91.85 3.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.28 148.18 41.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.9 m -160.51 162.81 33.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.8 p -105.71 -56.29 2.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.78 -64.45 0.37 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.88 3.12 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.8 p -53.79 137.96 36.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.789 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.0 t -68.12 131.53 45.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.506 -179.914 . . . . . . . . 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 1.452 -0.255 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -99.28 121.67 41.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.896 0.379 . . . . 0.0 110.869 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 4' ' ' GLY . 33.9 t -63.37 -47.49 81.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.19 42.23 0.37 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.406 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -93.35 85.55 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 0.0 110.874 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -130.57 167.39 18.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.83 124.33 1.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -170.43 105.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.362 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.3 m -68.71 116.88 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -117.74 40.37 3.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -118.71 147.58 43.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mp -96.6 125.2 40.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.2 p -85.33 86.94 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -134.71 159.64 40.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -78.57 -40.71 33.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.1 mp0 -48.29 156.84 0.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -163.09 155.87 18.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.4 t -59.04 162.78 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 m -103.94 -44.36 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.62 -67.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.0 p -85.39 -27.61 25.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.8 ptt? 39.56 33.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -111.89 45.13 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.44 -141.21 6.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -96.22 -175.0 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -121.6 125.43 46.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -75.21 -41.85 56.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 pp -139.99 155.25 47.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mt -125.27 128.32 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.1 mt -89.01 157.22 48.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.11 3.8 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.745 2.297 . . . . 0.0 112.304 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.0 p -113.16 22.71 14.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 62.51 46.44 5.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.493 ' CE1' ' CG2' ' A' ' 53' ' ' ILE . 29.7 m170 -138.24 106.96 5.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.583 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 6.9 m -102.69 161.06 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.1 m-85 -145.64 136.87 24.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -84.04 163.67 19.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -53.49 49.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -41.71 -66.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.1 m -52.52 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.2 mt -40.59 -35.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -72.07 -51.95 19.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -44.32 -51.43 8.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -65.88 126.67 29.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.8 m -61.02 162.67 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -41.16 103.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -122.71 146.46 47.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -50.35 178.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 49' ' ' ARG . 9.4 mpt_? -84.27 46.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -103.76 172.41 6.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.4 t -112.24 124.05 32.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -42.94 3.0 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.493 ' CG2' ' CE1' ' A' ' 34' ' ' HIS . 2.3 mp -53.37 -51.26 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 92.9 m -68.2 -37.53 81.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -49.22 -38.26 25.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.8 mt -52.53 -53.31 47.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -81.81 76.14 8.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.0 ttt -74.98 144.08 43.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 45.7 p -58.24 166.81 1.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.29 168.06 34.06 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -173.13 138.12 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -72.71 146.72 46.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -63.74 166.8 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 t -63.84 106.11 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.9 m -113.85 -52.23 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -107.67 83.49 0.34 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -11.2 30.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.248 . . . . 0.0 112.332 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.9 t -153.74 136.28 15.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.813 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.7 m 43.07 42.14 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.157 -0.801 . . . . 0.0 112.506 -179.96 . . . . . . . . 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 . . . . . 0.447 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 1' ' ' GLY . 61.8 p -34.86 139.05 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -132.94 141.89 48.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.1 -176.49 2.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p -172.93 175.0 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.389 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -49.46 144.85 5.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.11 131.02 3.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.95 148.46 23.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.828 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.7 m -58.03 166.94 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.173 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 3.0 mppt? -78.61 141.14 38.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -112.28 41.0 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.957 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.0 mt -133.13 149.45 52.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.9 t -174.14 130.3 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -90.08 157.51 17.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -113.54 -30.85 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -104.26 170.51 7.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -173.59 147.59 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 t -51.91 163.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.4 m -105.14 -39.73 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.407 HD11 ' CD2' ' A' ' 36' ' ' PHE . 68.1 mt -67.85 -66.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -81.48 -35.57 30.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 49.0 mtp 52.2 42.58 30.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -109.03 -45.54 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.72 -159.1 15.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -79.38 -176.04 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.17 120.94 43.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.18 -41.84 63.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 pp -144.27 154.59 43.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 30' ' ' LEU . 61.2 mt -125.01 138.65 53.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.458 ' N ' HG22 ' A' ' 29' ' ' ILE . 55.0 mt -94.29 156.29 38.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.561 0.696 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 3.0 3.0 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.2 p -114.37 20.16 15.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.547 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 66.16 54.94 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 36.9 m170 -146.18 117.97 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.655 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 59.8 p -113.33 160.51 18.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.655 ' CD1' ' C ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -146.88 119.74 8.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -67.97 167.71 13.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -54.86 -45.16 74.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -66.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 95.5 m -50.65 -60.87 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 36' ' ' PHE . 77.4 mt -44.84 -44.44 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.19 -45.38 77.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -50.7 -60.72 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.563 ' O ' ' CD2' ' A' ' 44' ' ' TRP . 55.6 p-90 -90.77 106.86 18.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.9 m -55.59 132.98 50.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -73.55 78.57 1.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -74.98 -52.54 10.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -96.28 179.24 5.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -120.42 45.66 2.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -132.25 171.44 13.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.6 t -83.69 126.59 70.56 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.291 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.467 HG21 ' CE1' ' A' ' 34' ' ' HIS . 44.1 mm -49.77 -55.91 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.158 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 92.8 m -60.73 -37.68 82.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -39.21 68.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.5 mt -57.17 -32.28 66.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 56.58 45.78 21.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 28.5 tpp -47.63 -52.98 16.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.9 m -109.62 119.45 39.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.157 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -162.61 117.11 0.75 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 40.65 41.99 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 0.0 111.062 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -89.23 145.45 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 64' ' ' SER . 11.3 tp10 -118.42 155.74 30.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 73.9 m -68.89 110.02 4.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.8 p -126.44 165.31 19.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -49.21 -68.61 1.27 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 158.71 55.96 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.683 2.256 . . . . 0.0 112.332 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 t 42.82 45.72 4.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.0 t -97.59 -58.37 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.442 -179.963 . . . . . . . . 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 1.452 -0.298 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -161.45 176.03 11.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 0.0 110.849 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -171.33 117.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.66 98.75 1.98 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 m -84.58 42.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -101.74 93.47 5.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.95 130.16 0.82 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -100.78 43.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -83.1 77.79 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.6 92.21 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -127.31 79.2 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.7 mt -121.93 86.14 2.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 t -171.7 127.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -148.3 157.1 43.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -43.74 -42.72 5.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -106.21 165.9 10.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -157.41 128.83 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.3 t -54.33 160.17 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -100.79 -40.83 7.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 80.1 mt -66.01 -63.09 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.3 p -88.3 -40.04 13.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.2 ttm 50.81 45.2 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -104.39 -48.2 3.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.25 -116.93 4.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -123.8 159.3 29.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.799 0.333 . . . . 0.0 110.857 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.23 130.9 37.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.93 -38.97 44.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 pp -133.95 159.12 41.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.0 mt -127.61 136.53 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.9 mt -95.17 156.09 38.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 0.0 110.936 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 1.08 4.74 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.649 2.232 . . . . 0.0 112.336 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.0 p -115.01 25.74 10.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.82 51.1 4.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.439 ' CE1' ' CG2' ' A' ' 53' ' ' ILE . 39.6 m170 -141.63 109.54 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.596 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -108.74 161.1 15.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.748 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 35' ' ' SER . 2.8 m-85 -146.9 139.62 25.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.9 p -83.95 166.54 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -58.55 -45.21 89.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.9 -62.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.5 m -58.97 -64.07 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.1 mt -40.88 -35.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -77.21 -52.08 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -40.3 -60.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -74.61 136.6 42.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.961 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 t -68.92 173.46 5.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -114.86 109.81 18.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.828 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -128.86 -53.24 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -98.37 -34.53 10.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 64.06 46.83 3.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -119.46 163.48 17.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 t -70.04 117.75 57.04 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -49.2 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.439 ' CG2' ' CE1' ' A' ' 34' ' ' HIS . 25.6 mm -43.8 -67.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 89.7 m -48.03 -41.87 26.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.418 ' C ' ' HD3' ' A' ' 55' ' ' ARG . 2.0 tmt_? -58.11 -44.39 87.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.1 mt -52.56 -51.06 61.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.09 95.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.54 127.26 31.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 44.9 m -102.24 89.28 3.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.72 69.77 0.27 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.43 168.57 18.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.309 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -101.07 170.77 8.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.26 166.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.0 p -47.28 115.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.5 p -104.8 169.67 8.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.65 -154.82 4.97 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 136.83 33.89 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' SER . 3.0 m -74.41 -60.14 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' SER . 8.6 t -36.68 133.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.181 -0.789 . . . . 0.0 112.462 -179.981 . . . . . . . . 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 -0.355 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 p -162.28 125.09 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.371 . . . . 0.0 110.895 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -169.79 143.61 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.02 -133.45 0.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -76.13 96.74 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 m -169.62 166.75 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.05 -168.76 41.86 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' VAL . 62.9 mtt180 -110.93 98.78 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.355 . . . . 0.0 110.89 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' ARG . 35.8 m -37.49 132.97 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -163.76 131.7 3.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -128.16 44.51 2.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.7 143.66 51.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.3 m -155.92 123.96 5.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.136 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -106.45 148.34 28.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -98.53 -34.59 10.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.53 165.28 13.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -148.67 140.44 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.6 t -44.29 158.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.0 m -99.93 -42.73 6.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.16 -67.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 23' ' ' ASP . 27.2 p -89.26 -30.79 18.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.9 ptp 39.86 29.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' CYS . 29.2 m-20 -108.52 46.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.97 -108.75 0.3 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.19 160.37 40.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.33 130.77 47.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.69 -39.46 44.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.436 HD22 ' CD1' ' A' ' 41' ' ' ILE . 3.4 pp -142.45 166.68 24.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -131.24 128.03 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.2 mt -81.85 156.84 69.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.672 0.748 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 2.65 3.32 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.73 2.287 . . . . 0.0 112.366 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.2 p -114.55 21.27 14.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 66.14 46.78 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.472 ' CG ' HD11 ' A' ' 53' ' ' ILE . 41.6 m170 -139.2 113.85 9.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.622 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 53.8 p -104.77 164.19 11.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 35' ' ' SER . 5.7 m-85 -151.03 131.76 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -80.33 160.18 25.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -49.83 -42.07 46.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -53.9 -63.24 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.2 m -56.02 -57.78 10.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.436 ' CD1' HD22 ' A' ' 28' ' ' LEU . 84.1 mt -45.93 -49.09 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.81 -44.59 90.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -49.94 70.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.8 m95 -75.85 100.64 4.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.971 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.3 p -80.8 43.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -107.76 119.8 40.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.67 89.59 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -155.74 169.97 23.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -92.91 43.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -121.02 173.51 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.2 t -125.69 133.37 24.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -49.07 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.305 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.472 HD11 ' CG ' ' A' ' 34' ' ' HIS . 62.1 mt -55.44 -35.32 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 68.0 m -81.69 -32.55 31.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -58.56 -56.58 20.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 pp -64.18 -39.69 94.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -65.25 96.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 29.5 mtm -96.03 -46.79 6.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 74.8 p -40.92 122.72 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.87 137.97 24.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.21 93.05 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 111.064 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 40.01 41.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -137.23 161.88 34.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.2 p -50.02 134.32 21.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.7 m -120.66 160.1 23.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.27 -95.0 0.83 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 127.33 14.46 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 65.7 p -116.43 147.85 41.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.9 t -152.32 130.75 12.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.464 -179.955 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -142.74 119.24 10.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.389 . . . . 0.0 110.851 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -89.45 150.38 22.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.01 -158.73 51.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -131.9 127.22 36.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.865 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -152.95 131.27 12.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.57 -128.75 2.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.6 100.67 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.8 m -67.17 137.71 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -155.19 144.04 20.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -118.9 43.11 2.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 mt -136.81 160.68 38.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.5 p -148.49 113.07 5.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -106.65 140.8 38.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -86.97 -46.51 9.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -112.02 156.86 21.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -154.98 134.96 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.8 t -54.21 159.07 2.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.8 t -112.23 -23.39 10.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mt -77.38 -65.79 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.4 p -96.87 -25.64 15.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.4 mtt 56.26 46.88 20.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -56.48 -44.06 80.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.57 -30.83 0.36 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.533 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 mmm-85 -130.03 177.08 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.25 145.05 40.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -91.01 -32.48 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 pp -155.88 149.43 24.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.6 mt -117.32 143.03 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.0 mt -94.67 156.23 38.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.573 0.701 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 2.56 3.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.9 p -115.97 20.1 14.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.415 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 69.07 49.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.479 ' CE1' HG23 ' A' ' 53' ' ' ILE . 45.8 m170 -140.78 112.43 7.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.574 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.0 t -107.1 162.98 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 35' ' ' SER . 4.0 m-85 -148.22 120.53 8.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 p -70.83 161.91 30.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -49.07 -51.41 31.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -45.12 -64.32 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.2 m -52.71 -62.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CD1' ' O ' ' A' ' 36' ' ' PHE . 52.1 mt -43.36 -39.48 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -68.85 -50.17 52.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -58.92 -53.52 57.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -74.51 141.39 44.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.9 m -100.46 107.1 18.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -162.49 130.12 3.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -112.15 -57.06 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -43.52 165.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -83.39 44.27 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -91.38 170.71 9.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 45.2 t -129.98 120.64 19.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.626 0.727 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -48.76 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.479 HG23 ' CE1' ' A' ' 34' ' ' HIS . 77.6 mt -52.19 -50.41 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 98.5 m -69.96 -39.81 75.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.402 ' C ' ' HD3' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -56.24 -23.45 36.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.0 mt -91.55 -38.59 12.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -104.92 56.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.1 mtt -45.11 131.53 7.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.7 t -43.4 162.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.126 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -102.3 53.14 0.8 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.4 152.34 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -57.06 132.06 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -152.88 146.13 24.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 t -72.6 135.24 45.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.0 p -152.25 145.54 24.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.41 81.82 0.55 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -33.84 15.87 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.726 2.284 . . . . 0.0 112.313 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.7 p -88.8 158.31 18.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 t -60.58 93.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.506 -179.999 . . . . . . . . 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 -0.363 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -164.52 158.28 18.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.811 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 p -169.37 121.23 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.91 141.29 4.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -139.42 157.36 45.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.885 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 p -111.96 174.35 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.71 163.92 50.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -70.53 130.23 41.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.7 t -121.21 130.6 74.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.059 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -123.79 52.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -143.82 162.99 34.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.38 121.05 18.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.4 p -109.92 -46.27 3.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.69 149.22 40.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -100.21 -49.89 4.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -105.88 161.5 14.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' HB3' ' A' ' 26' ' ' ALA . 32.3 mt-10 -159.78 145.97 15.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.5 t -60.56 159.32 10.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.4 t -95.29 -45.5 7.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.4 -74.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -80.02 -33.43 39.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.7 ptp 40.02 36.41 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.08 -54.35 4.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.73 -114.79 3.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -117.29 173.79 6.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' HB3' ' C ' ' A' ' 17' ' ' GLU . . . -103.76 140.34 37.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -84.19 -36.95 22.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.475 ' CD2' HD13 ' A' ' 41' ' ' ILE . 4.5 pp -142.43 167.66 21.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.3 mt -133.84 135.8 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -92.83 158.38 37.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.32 2.83 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.8 p -110.66 14.34 22.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 71.14 31.92 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -124.55 111.23 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.644 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 1.2 m -103.72 162.87 12.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.644 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.3 m-85 -149.49 148.94 30.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -90.79 169.74 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -61.86 -44.92 95.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -49.36 -61.57 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 83.5 m -59.58 -64.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.475 HD13 ' CD2' ' A' ' 28' ' ' LEU . 71.0 mt -40.12 -44.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -46.5 -60.3 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -55.05 -42.17 72.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -78.2 167.15 21.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.9 t -92.77 106.31 18.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -91.08 41.24 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.3 mtt-85 -86.7 -47.02 9.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -110.8 174.29 5.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.42 17.67 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -62.37 123.63 18.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 t -97.62 118.0 64.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.639 0.733 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -13.15 34.22 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 2.236 . . . . 0.0 112.359 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.6 mm -86.45 -59.97 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 73.6 m -62.16 -27.02 68.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' C ' ' HD3' ' A' ' 55' ' ' ARG . 0.8 OUTLIER -46.69 -38.38 9.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 57' ' ' GLN . 0.6 OUTLIER -93.58 -35.58 12.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.432 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 43.5 tt0 -77.46 104.74 8.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -59.78 127.01 29.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.1 m -114.25 150.82 33.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.24 96.05 0.27 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.511 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.79 83.52 2.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.755 0.312 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -71.88 -48.17 47.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -74.42 159.36 32.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.3 t -164.99 124.15 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.8 m -58.2 -49.8 75.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.61 174.79 36.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -46.43 1.21 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.695 2.263 . . . . 0.0 112.316 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.4 t -87.44 115.67 25.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.8 t -55.82 -49.72 72.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.504 -179.97 . . . . . . . . 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 ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.791 0.329 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -164.99 148.97 8.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.6 t -41.84 156.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.3 m -101.66 -34.11 9.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 94.3 mt -67.91 -69.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 p -86.03 -40.99 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.0 ttp 62.48 51.75 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.31 -62.47 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.91 -41.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -128.2 164.2 23.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.904 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.16 134.33 55.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -71.48 -35.29 70.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.611 HD21 HD13 ' A' ' 41' ' ' ILE . 3.3 pp -151.93 170.87 18.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.3 mt -139.31 142.79 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.531 HD12 ' HE1' ' A' ' 36' ' ' PHE . 52.1 mt -100.3 156.18 35.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.914 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 2.92 3.12 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 4.1 p -111.67 17.52 19.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 68.66 44.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -137.22 118.22 14.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.571 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 8.9 p -112.25 157.81 20.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.69 ' O ' HD11 ' A' ' 41' ' ' ILE . 2.5 m-85 -150.43 130.46 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.0 p -79.88 166.56 21.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.425 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . 2.6 tp60 -55.86 -46.88 78.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -46.59 -64.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 43' ' ' LYS . 63.8 m -58.72 -64.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.69 HD11 ' O ' ' A' ' 36' ' ' PHE . 79.0 mt -37.54 -48.12 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -65.32 -41.96 93.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.6 tmtm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.4 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.59 0.709 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -51.33 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.71 2.274 . . . . 0.0 112.342 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.7 mm -52.71 -60.87 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 97.1 m -54.97 -51.15 67.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 26.8 mp0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 17' ' ' GLU . 30.7 mp0 -146.66 133.92 20.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.3 t -41.05 161.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.7 m -108.86 -38.16 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 89.1 mt -62.68 -59.89 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.5 p -96.44 -44.32 7.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.1 ttm 62.98 37.92 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -81.77 -49.88 9.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.48 -124.77 2.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -97.87 -179.37 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.947 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.82 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -115.54 122.56 46.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.86 -43.58 83.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 pp -132.6 165.58 24.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 mp -138.17 134.07 44.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.41 HD12 ' HE1' ' A' ' 36' ' ' PHE . 38.9 mt -89.68 157.09 47.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.558 0.694 . . . . 0.0 110.947 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 1.69 4.16 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.705 2.27 . . . . 0.0 112.34 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.2 p -116.24 27.28 9.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 60.74 52.75 4.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.061 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 36.0 m170 -143.94 111.1 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.82 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 60.7 p -109.67 168.28 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.655 ' O ' HD11 ' A' ' 41' ' ' ILE . 2.7 m-85 -150.01 134.11 17.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.8 p -81.91 165.29 20.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -54.39 -46.4 73.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -50.82 -52.81 37.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 92.2 m -68.32 -59.88 2.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.655 HD11 ' O ' ' A' ' 36' ' ' PHE . 60.6 mt -41.51 -44.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -64.64 -46.93 80.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.6 tttp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.1 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.614 0.721 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -46.92 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.2 mt -56.04 -55.18 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.5 m -59.89 -35.62 75.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.83 0.348 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HA ' ' N ' ' A' ' 26' ' ' ALA . 17.0 pt-20 -147.98 157.99 43.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.7 t -50.37 159.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.7 m -108.07 -24.31 11.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 88.5 mt -79.45 -66.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 p -80.47 -29.0 37.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.5 mtp 48.41 43.58 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -120.32 -59.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.33 -129.2 0.32 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.426 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 51.4 mtp180 -123.88 -175.18 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.853 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . . . -106.63 98.79 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -65.85 -45.2 83.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.58 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.4 pp -137.3 142.31 41.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.7 mt -112.4 146.52 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.606 HD12 ' HE1' ' A' ' 36' ' ' PHE . 38.5 mt -102.38 157.17 34.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 0.31 5.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.8 p -113.08 20.59 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.467 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 65.38 53.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 40.7 m170 -143.7 118.97 10.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.651 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 20.4 p -108.81 163.87 12.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.651 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.2 m-85 -151.83 127.87 10.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.6 p -77.27 160.86 28.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -52.69 -41.96 64.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -60.26 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' ILE . 93.0 m -58.47 -65.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.622 HD11 ' O ' ' A' ' 36' ' ' PHE . 25.5 mt -37.5 -49.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -66.91 -48.09 69.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.926 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.2 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.64 0.733 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -43.32 2.68 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.8 mm -59.5 -26.02 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 62.3 m -95.97 -40.49 9.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.409 ' C ' ' HD3' ' A' ' 55' ' ' ARG . 2.9 tmt_? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.77 0.319 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -159.91 138.87 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.1 t -45.84 162.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.1 t -102.23 -44.06 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.19 -68.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.191 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 23' ' ' ASP . 21.1 p -89.97 -19.81 24.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 21' ' ' CYS . 10.3 ptt? 34.93 32.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 21' ' ' CYS . 2.3 m-20 -108.8 40.0 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ARG . . . 158.85 150.91 5.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.502 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' GLY . 32.0 mtm-85 -37.25 155.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.622 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -92.55 140.69 29.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.077 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.423 ' C ' ' OD1' ' A' ' 27' ' ' ASP . 1.2 t0 -81.19 -32.64 33.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.472 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.5 pp -152.08 168.93 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.6 mt -129.56 138.77 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.583 HD12 ' HE1' ' A' ' 36' ' ' PHE . 59.2 mt -95.38 156.19 37.91 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.657 0.742 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -1.26 8.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.73 2.287 . . . . 0.0 112.384 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 5.6 p -108.2 16.74 22.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.457 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 68.71 48.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 39.2 m170 -141.51 124.12 15.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.627 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 74.8 p -107.96 160.54 15.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.9 m-85 -149.59 124.51 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.3 p -69.22 173.75 5.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -62.84 -42.08 99.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -53.9 -67.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 84.7 m -46.99 -60.96 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.426 HD11 ' O ' ' A' ' 36' ' ' PHE . 77.4 mt -47.73 -61.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' ILE . 21.2 t70 -36.8 -52.81 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 tptm . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.5 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.647 0.737 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -45.26 1.69 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 42.3 mm -52.19 -64.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 55' ' ' ARG . 72.1 m -48.09 -43.72 30.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 54' ' ' CYS . 14.6 ttp180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.578 ' HG3' ' HB3' ' A' ' 26' ' ' ALA . 4.7 pt-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.756 0.312 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -155.52 136.92 14.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -43.7 159.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.8 m -101.26 -44.19 5.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.53 -66.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' MET . 28.7 p -88.51 -28.2 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' CYS . 8.2 ptt? 37.75 35.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -83.53 -45.56 13.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.65 -126.66 3.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.432 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.58 178.72 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.854 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.595 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -109.07 136.54 48.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -86.39 -34.53 20.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.597 HD21 HD13 ' A' ' 41' ' ' ILE . 2.5 pp -144.3 156.18 44.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 mt -127.17 132.86 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.4 mt -94.23 158.02 36.61 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -0.3 6.74 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.244 . . . . 0.0 112.306 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.506 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 5.5 p -109.07 12.68 25.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 71.76 43.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -136.66 111.95 9.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.644 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 79.5 p -105.49 164.71 11.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.644 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.0 m-85 -150.08 130.96 14.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.5 p -79.71 167.85 20.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -58.93 -44.69 91.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -48.41 -63.29 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.1 m -56.37 -64.88 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.597 HD13 HD21 ' A' ' 28' ' ' LEU . 73.4 mt -41.3 -41.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -67.32 -55.97 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.2 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.636 0.731 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.81 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.5 mt -51.56 -63.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 57.3 m -47.09 -50.11 20.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.796 0.331 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -143.11 143.63 31.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.7 t -60.04 161.21 7.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -96.72 -43.63 7.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.2 mt -64.73 -71.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -79.76 -32.32 40.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.8 ptt? 38.75 32.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -116.65 34.64 4.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.94 -113.14 0.34 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.541 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -131.21 -179.29 5.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -124.29 144.64 49.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.17 -31.31 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.686 HD12 ' C ' ' A' ' 28' ' ' LEU . 3.4 pp -138.43 153.1 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.2 mt -125.64 142.74 41.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.595 HD12 ' HE1' ' A' ' 36' ' ' PHE . 43.4 mt -102.1 156.71 34.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 2.56 3.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.484 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 5.8 p -110.27 13.29 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 71.44 39.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -134.62 114.39 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.92 157.0 17.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.595 ' HE1' HD12 ' A' ' 30' ' ' LEU . 10.4 m-85 -140.85 127.23 19.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.0 p -77.32 153.25 34.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' LYS . 36.9 tp60 -44.19 -56.4 4.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 38' ' ' GLN . 36.2 mttt -38.11 -64.86 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 92.9 m -55.88 -58.27 8.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.587 HD11 ' O ' ' A' ' 36' ' ' PHE . 60.4 mt -42.0 -37.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.35 -55.12 9.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.632 0.73 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.465 ' HG2' ' CE2' ' A' ' 36' ' ' PHE . 54.3 Cg_endo -69.7 -10.68 29.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.254 . . . . 0.0 112.371 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.6 mm -95.32 -63.29 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 93.5 m -41.28 -30.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.798 0.332 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.439 ' CA ' ' HB2' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -174.66 142.17 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t -42.21 158.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.4 m -111.58 -36.23 5.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.7 -63.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.3 p -97.44 -12.35 22.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.8 mmt 42.61 52.89 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.63 -63.35 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.51 -39.9 0.1 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -112.67 163.85 14.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.852 0.358 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -131.87 117.42 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -69.2 -43.81 73.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.468 ' O ' HD12 ' A' ' 28' ' ' LEU . 2.8 pp -139.84 149.92 44.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.6 mp -123.1 135.84 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.4 mt -91.87 156.47 42.52 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 0.07 6.14 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.321 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.4 p -113.54 27.07 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.487 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 59.85 54.85 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.487 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 32.3 m170 -147.5 117.4 7.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.619 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 58.1 p -111.37 165.49 11.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 35' ' ' SER . 2.6 m-85 -148.07 118.97 7.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -71.53 160.71 32.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.408 ' CD ' ' C ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -49.55 -49.97 44.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -47.9 -58.83 3.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 62.8 m -55.93 -65.69 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.547 HD11 ' O ' ' A' ' 36' ' ' PHE . 45.0 mt -40.44 -53.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -46.43 -46.22 18.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.612 0.72 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.421 ' O ' ' CB ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.76 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.366 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 42.3 mm -50.21 -63.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 82.3 m -50.76 -33.43 23.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 12.3 ttt85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 24' ' ' GLY . 17.3 mm-40 -141.4 157.53 45.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.5 t -74.28 162.03 29.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.5 m -98.32 -39.2 8.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.6 mt -68.97 -72.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' MET . 20.7 p -83.97 -24.38 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' CYS . 4.7 ptt? 34.84 45.78 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.84 -45.46 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.456 ' O ' ' CD ' ' A' ' 17' ' ' GLU . . . -102.86 -122.52 5.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -119.97 175.29 5.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -96.69 128.87 44.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -82.78 -39.81 21.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.461 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.6 pp -145.0 157.26 44.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.7 mm -119.46 147.19 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.784 HD12 ' HE1' ' A' ' 36' ' ' PHE . 32.2 mt -109.89 156.61 39.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.557 0.694 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 1.61 4.22 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.416 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.4 p -111.36 19.19 18.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.478 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 62.1 53.97 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.478 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 41.4 m170 -144.32 117.37 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.553 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 85.0 p -102.83 160.78 14.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.784 ' HE1' HD12 ' A' ' 30' ' ' LEU . 10.3 m-85 -151.92 121.29 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -67.71 169.89 8.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -60.91 -44.81 96.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -51.15 -69.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.6 m -44.77 -61.15 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.505 HD11 ' O ' ' A' ' 36' ' ' PHE . 68.6 mt -45.53 -56.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -46.41 -58.93 3.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.8 mttm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.707 0.765 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -50.9 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.346 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.2 mm -50.41 -32.35 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 91.1 m -87.06 -53.31 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.4 ttp-105 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 21.2 mp0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -143.84 136.8 27.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.4 t -48.91 155.29 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.3 m -106.17 -34.23 7.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.6 mt -62.26 -48.52 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.094 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.4 p -116.68 -37.71 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.8 ttm 66.33 45.31 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -68.51 -72.68 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.1 -76.27 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HD3' ' C ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -126.15 166.75 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.35 149.52 25.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.785 ' OD2' HD12 ' A' ' 41' ' ' ILE . 3.5 p30 -87.69 -29.26 21.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.722 HD21 HD13 ' A' ' 41' ' ' ILE . 3.9 pp -152.67 170.52 20.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.1 mt -137.99 130.6 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.8 mt -83.6 156.56 65.14 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.619 0.723 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 2.97 3.06 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.629 2.22 . . . . 0.0 112.38 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 p -110.18 19.14 19.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 66.14 54.59 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 31.1 m170 -143.48 118.1 9.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.496 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 11.8 p -102.92 156.98 17.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.71 ' HB2' HD11 ' A' ' 41' ' ' ILE . 6.7 m-85 -151.59 138.85 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.404 ' C ' ' OD2' ' A' ' 27' ' ' ASP . 23.9 p -94.12 154.63 17.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.459 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 13.8 mm-40 -46.07 -49.24 16.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -45.29 -46.19 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.5 m -77.78 -68.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.785 HD12 ' OD2' ' A' ' 27' ' ' ASP . 78.5 mt -40.53 -30.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -77.82 -44.79 26.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.8 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.615 0.721 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -49.96 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.3 mt -57.31 -62.27 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 59.1 m -47.24 -41.5 18.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.851 0.358 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -174.99 136.8 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.8 t -47.16 160.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 m -113.35 -31.58 6.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.645 HD11 ' CE2' ' A' ' 36' ' ' PHE . 84.6 mt -66.9 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 22' ' ' MET . 17.1 p -101.26 -3.68 28.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 21' ' ' CYS . 2.9 mmt 35.57 53.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -72.46 -52.31 16.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.26 -38.0 0.52 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -102.7 147.4 26.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.81 124.41 39.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -76.46 -38.73 54.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.617 HD21 HD12 ' A' ' 41' ' ' ILE . 3.2 pp -149.93 155.16 39.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.1 mp -123.75 140.24 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.0 mt -99.33 157.08 34.66 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.605 0.717 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 1.11 4.72 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.64 2.227 . . . . 0.0 112.368 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.2 p -114.38 20.68 15.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 65.33 54.08 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -143.32 108.76 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.6 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 59.4 p -104.0 164.72 11.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.645 ' CE2' HD11 ' A' ' 20' ' ' ILE . 4.5 m-85 -146.3 116.9 7.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 38' ' ' GLN . 29.7 p -71.92 148.71 45.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -33.2 -50.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -53.24 -51.76 61.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 37' ' ' CYS . 56.7 m -64.1 -41.08 97.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.617 HD12 HD21 ' A' ' 28' ' ' LEU . 45.9 mm -47.21 -50.79 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.114 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 43' ' ' LYS . 29.1 t70 -56.37 -58.71 6.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' ASP . 5.7 tppt? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.607 0.718 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -39.22 6.77 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.2 mm -66.15 -66.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 92.9 m -41.2 -46.23 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.794 0.33 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.481 ' C ' ' HB2' ' A' ' 26' ' ' ALA . 1.9 pm0 -174.14 137.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.7 t -52.6 162.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.2 t -109.13 -34.7 6.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 90.0 mt -68.78 -69.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.2 p -85.14 -43.44 13.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 25.9 mtp 65.33 42.25 3.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.426 ' CG ' ' N ' ' A' ' 24' ' ' GLY . 5.1 p-10 -78.32 -52.4 8.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.426 ' N ' ' CG ' ' A' ' 23' ' ' ASP . . . -140.15 -136.01 3.29 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.63 167.49 20.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.481 ' HB2' ' C ' ' A' ' 17' ' ' GLU . . . -104.46 138.15 41.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.48 -33.06 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.452 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.6 pp -154.17 166.48 32.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 mt -131.87 137.22 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.8 mt -94.24 156.05 39.27 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.66 0.743 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.45 3.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.4 p -116.17 24.82 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 61.68 48.53 5.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -138.76 108.23 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.484 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -107.71 161.34 14.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.811 -179.714 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.672 ' O ' HD11 ' A' ' 41' ' ' ILE . 8.9 m-85 -149.59 137.09 20.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.5 p -77.51 165.47 24.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -52.82 -42.9 65.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -55.97 -69.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 97.9 m -46.88 -57.01 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.672 HD11 ' O ' ' A' ' 36' ' ' PHE . 56.3 mt -50.09 -53.09 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -42.91 -41.55 3.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.675 0.75 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -48.74 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.675 2.25 . . . . 0.0 112.38 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.1 mt -49.58 -50.51 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.2 m -69.5 -44.4 71.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.795 0.331 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -159.36 151.91 21.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.0 t -44.53 162.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.0 m -112.46 -34.88 5.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.12 -49.02 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.2 p -114.52 -26.64 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.1 mtp 54.19 45.78 26.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -55.21 -52.93 61.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.53 -42.18 0.11 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.436 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -118.03 172.35 7.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.65 ' HB1' ' HB3' ' A' ' 35' ' ' SER . . . -137.19 112.17 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.89 -47.6 77.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 pp -134.9 166.48 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.6 mt -136.93 146.01 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.447 HD12 ' HE1' ' A' ' 36' ' ' PHE . 49.5 mt -102.42 156.31 35.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.645 0.736 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 2.74 3.28 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.668 2.246 . . . . 0.0 112.355 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.1 p -117.89 27.2 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.446 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 60.12 53.24 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 39.8 m170 -143.67 112.12 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.65 ' HB3' ' HB1' ' A' ' 26' ' ' ALA . 12.3 m -110.27 158.56 18.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.632 ' O ' HD11 ' A' ' 41' ' ' ILE . 2.1 m-85 -142.65 114.85 8.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 p -67.42 155.66 38.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -45.66 -52.92 10.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -43.7 -59.78 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 41' ' ' ILE . 73.0 m -58.69 -62.24 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.632 HD11 ' O ' ' A' ' 36' ' ' PHE . 87.1 mt -37.91 -50.83 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -57.54 -55.9 28.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.8 mttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 37.5 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.643 0.735 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -50.92 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.7 mm -48.57 -51.6 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 75.5 m -66.89 -30.87 71.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.438 ' HA ' ' N ' ' A' ' 26' ' ' ALA . 12.5 mp0 -146.29 139.93 26.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.5 t -42.72 159.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.2 m -102.61 -42.01 6.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 93.8 mt -59.52 -68.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.7 p -88.94 -33.38 17.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.3 ptt? 40.73 39.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.07 -43.59 9.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.95 -103.33 2.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -132.97 -176.34 4.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.327 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -103.79 128.64 51.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.96 -39.23 26.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.412 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.3 pp -146.58 167.31 24.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.2 mm -127.22 144.65 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.7 HD12 ' HE1' ' A' ' 36' ' ' PHE . 18.8 mt -105.55 158.68 31.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -0.09 6.36 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.38 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 5.6 p -108.91 16.76 22.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 66.89 44.58 2.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -134.68 130.58 36.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.494 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 20.4 p -113.74 158.36 21.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.7 ' HE1' HD12 ' A' ' 30' ' ' LEU . 28.6 m-85 -151.2 131.64 13.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -81.71 163.09 22.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -49.82 -50.6 44.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -48.44 -61.6 1.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.8 m -53.55 -63.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.1 mt -43.33 -40.89 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.62 -38.31 84.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 37.6 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.689 0.756 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -42.3 3.53 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.4 mm -50.74 -49.87 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 57.3 m -56.81 -36.57 70.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.78 0.324 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -174.7 147.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.0 t -44.61 165.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.4 t -112.93 -32.08 6.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 93.4 mt -72.13 -53.58 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -95.24 -37.27 11.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 11.9 mtm 58.98 36.05 24.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -82.89 -71.66 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.82 -162.58 12.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -57.29 -178.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.19 139.95 47.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.441 ' CG ' ' HG2' ' A' ' 38' ' ' GLN . 1.4 m-20 -76.04 -35.82 59.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.476 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.5 pp -144.13 157.1 44.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.8 mt -131.36 130.14 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.723 HD13 ' HB2' ' A' ' 51' ' ' CYS . 60.8 mt -88.79 156.07 50.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.594 0.712 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 3.08 2.96 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.722 2.282 . . . . 0.0 112.348 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.7 p -108.59 18.61 20.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 65.9 39.93 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.455 ' NE2' HG21 ' A' ' 53' ' ' ILE . 27.6 m170 -134.95 122.28 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 56.0 p -119.31 161.25 20.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.699 ' O ' HD11 ' A' ' 41' ' ' ILE . 6.3 m-85 -150.39 132.38 15.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.8 p -77.55 150.36 34.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.441 ' HG2' ' CG ' ' A' ' 27' ' ' ASP . 6.2 mm100 -42.41 -57.24 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -38.55 -59.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' ILE . 82.2 m -62.05 -63.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.699 HD11 ' O ' ' A' ' 36' ' ' PHE . 75.0 mt -36.01 -44.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -76.13 -43.11 44.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.723 ' HB2' HD13 ' A' ' 30' ' ' LEU . 20.7 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.559 0.695 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.438 ' HG2' ' CE2' ' A' ' 36' ' ' PHE . 53.0 Cg_endo -69.8 -50.51 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.455 HG21 ' NE2' ' A' ' 34' ' ' HIS . 8.6 mm -50.19 -57.43 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 57.3 m -54.0 -35.62 62.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.743 ' HG2' HD11 ' A' ' 29' ' ' ILE . 45.1 mp0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.861 0.362 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' C ' ' HB2' ' A' ' 26' ' ' ALA . 20.8 pt-20 -163.09 155.87 18.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.4 t -59.04 162.78 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 m -103.94 -44.36 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.62 -67.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.0 p -85.39 -27.61 25.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.8 ptt? 39.56 33.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -111.89 45.13 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.44 -141.21 6.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -96.22 -175.0 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.627 ' HB1' ' HB3' ' A' ' 35' ' ' SER . . . -121.6 125.43 46.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -75.21 -41.85 56.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.417 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.5 pp -139.99 155.25 47.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.743 HD11 ' HG2' ' A' ' 16' ' ' GLU . 46.7 mt -125.27 128.32 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.1 mt -89.01 157.22 48.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.11 3.8 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.745 2.297 . . . . 0.0 112.304 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.0 p -113.16 22.71 14.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 62.51 46.44 5.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.596 ' NE2' HG21 ' A' ' 53' ' ' ILE . 29.7 m170 -138.24 106.96 5.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.627 ' HB3' ' HB1' ' A' ' 26' ' ' ALA . 6.9 m -102.69 161.06 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.1 m-85 -145.64 136.87 24.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -84.04 163.67 19.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -53.49 49.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -41.71 -66.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.1 m -52.52 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.2 mt -40.59 -35.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -72.07 -51.95 19.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.8 tptt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.4 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.423 ' HG2' HD12 ' A' ' 53' ' ' ILE . 53.9 Cg_endo -69.72 -42.94 3.0 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.596 HG21 ' NE2' ' A' ' 34' ' ' HIS . 2.3 mp -53.37 -51.26 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 92.9 m -68.2 -37.53 81.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.806 0.336 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -173.59 147.59 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 t -51.91 163.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.4 m -105.14 -39.73 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.1 mt -67.85 -66.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -81.48 -35.57 30.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 49.0 mtp 52.2 42.58 30.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -109.03 -45.54 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.72 -159.1 15.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -79.38 -176.04 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.465 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -112.17 120.94 43.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.18 -41.84 63.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 pp -144.27 154.59 43.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.2 mt -125.01 138.65 53.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.0 mt -94.29 156.29 38.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.561 0.696 . . . . 0.0 110.943 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 3.0 3.0 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.2 p -114.37 20.16 15.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.547 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 66.16 54.94 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 36.9 m170 -146.18 117.97 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.655 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 59.8 p -113.33 160.51 18.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.735 ' O ' HD11 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -146.88 119.74 8.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -67.97 167.71 13.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -54.86 -45.16 74.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -66.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 95.5 m -50.65 -60.87 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.735 HD11 ' O ' ' A' ' 36' ' ' PHE . 77.4 mt -44.84 -44.44 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.19 -45.38 77.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.0 tttt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.6 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.644 0.735 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.291 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.1 mm -49.77 -55.91 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 92.8 m -60.73 -37.68 82.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.65 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 16.7 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.794 0.33 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -157.41 128.83 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.3 t -54.33 160.17 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -100.79 -40.83 7.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 80.1 mt -66.01 -63.09 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.3 p -88.3 -40.04 13.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.2 ttm 50.81 45.2 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -104.39 -48.2 3.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.25 -116.93 4.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -123.8 159.3 29.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.799 0.333 . . . . 0.0 110.857 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.65 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . . . -92.23 130.9 37.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.93 -38.97 44.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.445 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.6 pp -133.95 159.12 41.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.0 mt -127.61 136.53 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.9 mt -95.17 156.09 38.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 0.0 110.936 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 1.08 4.74 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.649 2.232 . . . . 0.0 112.336 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.0 p -115.01 25.74 10.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.82 51.1 4.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.636 ' NE2' HG21 ' A' ' 53' ' ' ILE . 39.6 m170 -141.63 109.54 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.596 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -108.74 161.1 15.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.748 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 35' ' ' SER . 2.8 m-85 -146.9 139.62 25.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.9 p -83.95 166.54 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -58.55 -45.21 89.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.9 -62.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.5 m -58.97 -64.07 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.1 mt -40.88 -35.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -77.21 -52.08 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.612 0.72 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -49.2 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.636 HG21 ' NE2' ' A' ' 34' ' ' HIS . 25.6 mm -43.8 -67.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 89.7 m -48.03 -41.87 26.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.422 ' C ' ' HD3' ' A' ' 55' ' ' ARG . 2.0 tmt_? . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.577 ' CG ' ' HB3' ' A' ' 26' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.766 0.317 . . . . 0.0 110.92 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' C ' ' HB2' ' A' ' 26' ' ' ALA . 39.3 mt-10 -148.67 140.44 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.6 t -44.29 158.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.0 m -99.93 -42.73 6.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.16 -67.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 23' ' ' ASP . 27.2 p -89.26 -30.79 18.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.9 ptp 39.86 29.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' CYS . 29.2 m-20 -108.52 46.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.97 -108.75 0.3 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.19 160.37 40.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.589 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -101.33 130.77 47.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.69 -39.46 44.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.45 HD21 HD13 ' A' ' 41' ' ' ILE . 3.4 pp -142.45 166.68 24.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -131.24 128.03 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.2 mt -81.85 156.84 69.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.672 0.748 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 2.65 3.32 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.73 2.287 . . . . 0.0 112.366 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.2 p -114.55 21.27 14.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 66.14 46.78 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -139.2 113.85 9.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.622 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 53.8 p -104.77 164.19 11.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 35' ' ' SER . 5.7 m-85 -151.03 131.76 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -80.33 160.18 25.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -49.83 -42.07 46.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -53.9 -63.24 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.2 m -56.02 -57.78 10.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.45 HD13 HD21 ' A' ' 28' ' ' LEU . 84.1 mt -45.93 -49.09 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.81 -44.59 90.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.2 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.585 0.707 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -49.07 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.305 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.44 -35.32 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 68.0 m -81.69 -32.55 31.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.925 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.611 ' HG2' HD11 ' A' ' 29' ' ' ILE . 5.8 mt-10 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.785 0.326 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' HG3' ' C ' ' A' ' 16' ' ' GLU . 25.7 mt-10 -154.98 134.96 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.8 t -54.21 159.07 2.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.8 t -112.23 -23.39 10.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mt -77.38 -65.79 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.4 p -96.87 -25.64 15.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.4 mtt 56.26 46.88 20.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -56.48 -44.06 80.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.57 -30.83 0.36 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.533 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 mmm-85 -130.03 177.08 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.671 ' HB1' ' OG ' ' A' ' 35' ' ' SER . . . -138.25 145.05 40.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.404 ' CG ' ' HG2' ' A' ' 38' ' ' GLN . 16.1 t70 -91.01 -32.48 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 pp -155.88 149.43 24.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.611 HD11 ' HG2' ' A' ' 16' ' ' GLU . 80.6 mt -117.32 143.03 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.0 mt -94.67 156.23 38.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.573 0.701 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 2.56 3.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.456 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 6.9 p -115.97 20.1 14.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 69.07 49.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.415 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 45.8 m170 -140.78 112.43 7.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.671 ' OG ' ' HB1' ' A' ' 26' ' ' ALA . 3.0 t -107.1 162.98 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.715 ' O ' HD11 ' A' ' 41' ' ' ILE . 4.0 m-85 -148.22 120.53 8.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 p -70.83 161.91 30.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' HG2' ' CG ' ' A' ' 27' ' ' ASP . 5.2 mm-40 -49.07 -51.41 31.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -45.12 -64.32 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.2 m -52.71 -62.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.715 HD11 ' O ' ' A' ' 36' ' ' PHE . 52.1 mt -43.36 -39.48 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -68.85 -50.17 52.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 45.2 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.626 0.727 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -48.76 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.6 mt -52.19 -50.41 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 98.5 m -69.96 -39.81 75.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.698 ' HG2' HD11 ' A' ' 29' ' ' ILE . 9.1 mp0 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.502 ' C ' ' HB2' ' A' ' 26' ' ' ALA . 32.3 mt-10 -159.78 145.97 15.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.5 t -60.56 159.32 10.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.4 t -95.29 -45.5 7.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.4 -74.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -80.02 -33.43 39.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.7 ptp 40.02 36.41 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.08 -54.35 4.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.73 -114.79 3.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -117.29 173.79 6.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.502 ' HB2' ' C ' ' A' ' 17' ' ' GLU . . . -103.76 140.34 37.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -84.19 -36.95 22.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.5 pp -142.43 167.66 21.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.698 HD11 ' HG2' ' A' ' 16' ' ' GLU . 20.3 mt -133.84 135.8 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -92.83 158.38 37.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.32 2.83 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 4.8 p -110.66 14.34 22.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 71.14 31.92 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -124.55 111.23 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.644 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 1.2 m -103.72 162.87 12.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.644 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.3 m-85 -149.49 148.94 30.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -90.79 169.74 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -61.86 -44.92 95.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -49.36 -61.57 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 83.5 m -59.58 -64.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.0 mt -40.12 -44.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -46.5 -60.3 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 tttp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.639 0.733 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -13.15 34.22 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 2.236 . . . . 0.0 112.359 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.6 mm -86.45 -59.97 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 73.6 m -62.16 -27.02 68.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.411 ' C ' ' HD3' ' A' ' 55' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -100.32 42.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.906 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 p -141.8 164.51 30.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.31 133.8 3.29 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 p -81.92 -53.46 6.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -102.5 147.05 27.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.71 55.76 0.11 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.452 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -123.66 170.31 10.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.3 t -52.2 134.4 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -123.74 115.74 21.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -53.22 147.21 10.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.59 30.25 5.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.8 m -45.39 -51.55 11.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -50.22 149.22 3.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -128.62 -46.25 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -136.66 162.78 32.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -164.99 148.97 8.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.6 t -41.84 156.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.3 m -101.66 -34.11 9.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 94.3 mt -67.91 -69.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 p -86.03 -40.99 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.0 ttp 62.48 51.75 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.31 -62.47 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.91 -41.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -128.2 164.2 23.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.904 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.16 134.33 55.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -71.48 -35.29 70.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.611 HD21 HD13 ' A' ' 41' ' ' ILE . 3.3 pp -151.93 170.87 18.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.3 mt -139.31 142.79 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.531 HD12 ' HE1' ' A' ' 36' ' ' PHE . 52.1 mt -100.3 156.18 35.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.914 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 2.92 3.12 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 4.1 p -111.67 17.52 19.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 68.66 44.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -137.22 118.22 14.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.571 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 8.9 p -112.25 157.81 20.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.69 ' O ' HD11 ' A' ' 41' ' ' ILE . 2.5 m-85 -150.43 130.46 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.0 p -79.88 166.56 21.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.425 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . 2.6 tp60 -55.86 -46.88 78.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -46.59 -64.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 43' ' ' LYS . 63.8 m -58.72 -64.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.69 HD11 ' O ' ' A' ' 36' ' ' PHE . 79.0 mt -37.54 -48.12 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -65.32 -41.96 93.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.6 tmtm? -53.76 -51.73 62.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.7 m95 -67.32 98.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 m -38.26 -58.98 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.7 83.62 4.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.599 ' H ' ' NE ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -89.44 27.34 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 50' ' ' ASN . 5.0 t-80 -54.52 146.96 15.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -40.14 -26.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' HIS . 77.2 m-20 -51.99 142.02 16.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.4 t -91.4 130.48 39.39 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.709 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -51.33 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.71 2.274 . . . . 0.0 112.342 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.564 ' HA ' HD12 ' A' ' 56' ' ' LEU . 30.7 mm -52.71 -60.87 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 97.1 m -54.97 -51.15 67.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -41.41 -43.24 2.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 53' ' ' ILE . 9.3 mt -53.43 -43.44 68.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 57.32 43.16 23.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.8 tmm? -77.4 106.59 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.576 ' O ' HG22 ' A' ' 59' ' ' THR . 20.4 m 54.48 40.1 31.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.02 -105.23 0.83 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.459 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -139.44 160.76 39.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -62.77 104.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -142.9 109.75 5.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.5 m -92.33 119.14 31.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 t -120.67 -57.33 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.906 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.06 148.09 7.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 177.29 5.71 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.1 p -128.65 108.15 10.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.8 p -67.14 -60.63 2.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.489 -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 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -136.51 149.65 48.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 110.886 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -150.01 157.96 43.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.07 -109.23 1.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -142.75 113.96 7.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.866 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 t -132.61 87.46 2.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.09 -153.1 0.42 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.461 ' HD3' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -168.93 142.32 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.7 t -126.37 134.47 66.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.059 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -125.15 102.29 7.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -133.69 173.59 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.3 mt -121.59 82.08 1.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.0 t -65.93 -40.51 91.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.28 142.0 48.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -112.58 -54.7 2.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 26.8 mp0 -93.7 149.33 21.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 17' ' ' GLU . 30.7 mp0 -146.66 133.92 20.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.3 t -41.05 161.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.7 m -108.86 -38.16 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 89.1 mt -62.68 -59.89 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.5 p -96.44 -44.32 7.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.1 ttm 62.98 37.92 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -81.77 -49.88 9.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.48 -124.77 2.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -97.87 -179.37 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.947 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.82 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -115.54 122.56 46.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.86 -43.58 83.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 pp -132.6 165.58 24.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 mp -138.17 134.07 44.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.41 HD12 ' HE1' ' A' ' 36' ' ' PHE . 38.9 mt -89.68 157.09 47.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.558 0.694 . . . . 0.0 110.947 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 1.69 4.16 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.705 2.27 . . . . 0.0 112.34 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.2 p -116.24 27.28 9.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 60.74 52.75 4.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.061 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 36.0 m170 -143.94 111.1 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.82 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 60.7 p -109.67 168.28 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.655 ' O ' HD11 ' A' ' 41' ' ' ILE . 2.7 m-85 -150.01 134.11 17.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.8 p -81.91 165.29 20.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -54.39 -46.4 73.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -50.82 -52.81 37.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 92.2 m -68.32 -59.88 2.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.655 HD11 ' O ' ' A' ' 36' ' ' PHE . 60.6 mt -41.51 -44.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -64.64 -46.93 80.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -54.92 -55.06 34.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.52 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 62.2 p-90 -102.09 114.54 28.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.3 m -133.25 155.63 49.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -174.05 166.88 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 -95.21 40.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -130.27 142.16 50.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -98.17 42.96 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -105.64 171.15 7.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.1 t -105.84 130.86 22.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.614 0.721 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -46.92 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.2 mt -56.04 -55.18 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.5 m -59.89 -35.62 75.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -69.24 -32.37 71.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.01 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -102.68 106.73 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.8 mtt -113.28 -179.05 3.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -44.73 112.84 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.17 -136.91 5.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.69 101.15 7.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.321 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -136.31 134.15 37.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -70.72 122.7 20.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.8 m -153.17 174.76 13.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 t -46.1 -57.1 4.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -115.09 86.32 0.41 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.09 11.74 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.0 p -71.0 168.68 16.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.7 m -66.33 179.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.534 -179.959 . . . . . . . . 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 1.452 -0.285 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.0 p -163.6 115.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.389 . . . . 0.0 110.857 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -142.82 126.62 17.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.95 118.05 1.8 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 p -124.02 120.97 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.819 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 t -103.25 154.93 18.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.88 104.68 0.21 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -158.68 163.0 37.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.4 m -58.3 148.16 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.87 75.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? -69.8 -6.81 34.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.6 mt -86.84 39.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.0 m -61.72 -47.35 85.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.48 152.5 43.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -111.04 40.01 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.44 175.21 10.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HA ' ' N ' ' A' ' 26' ' ' ALA . 17.0 pt-20 -147.98 157.99 43.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.7 t -50.37 159.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.7 m -108.07 -24.31 11.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 88.5 mt -79.45 -66.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 p -80.47 -29.0 37.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.5 mtp 48.41 43.58 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -120.32 -59.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.33 -129.2 0.32 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 51.4 mtp180 -123.88 -175.18 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.853 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . . . -106.63 98.79 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -65.85 -45.2 83.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.58 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.4 pp -137.3 142.31 41.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.7 mt -112.4 146.52 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.606 HD12 ' HE1' ' A' ' 36' ' ' PHE . 38.5 mt -102.38 157.17 34.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 0.31 5.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.8 p -113.08 20.59 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.467 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 65.38 53.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 40.7 m170 -143.7 118.97 10.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.651 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 20.4 p -108.81 163.87 12.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.651 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.2 m-85 -151.83 127.87 10.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.6 p -77.27 160.86 28.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -52.69 -41.96 64.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -60.26 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' ILE . 93.0 m -58.47 -65.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.622 HD11 ' O ' ' A' ' 36' ' ' PHE . 25.5 mt -37.5 -49.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -66.91 -48.09 69.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -50.26 -47.54 55.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -102.69 107.24 18.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.6 m -120.24 40.91 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -93.23 -54.24 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 11.5 mmp_? -73.64 171.03 14.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -108.0 -66.31 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 41.3 mtt-85 -127.58 -42.19 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -38.64 154.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.2 t -91.2 127.1 52.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.64 0.733 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -43.32 2.68 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.8 mm -59.5 -26.02 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 62.3 m -95.97 -40.49 9.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.409 ' C ' ' HD3' ' A' ' 55' ' ' ARG . 2.9 tmt_? -50.05 -61.66 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 56' ' ' LEU . 2.2 pp -47.11 -35.44 7.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -69.65 87.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 32.8 tpp -102.21 141.65 34.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.8 p -93.6 156.34 16.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.61 -81.08 0.16 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.537 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.96 157.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -133.39 131.58 40.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 40.84 40.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.1 m -112.24 124.7 53.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.3 t -124.52 110.04 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -167.1 142.43 7.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -178.68 2.45 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.637 2.224 . . . . 0.0 112.355 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.2 p -166.85 117.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -75.02 172.4 12.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.457 -179.974 . . . . . . . . 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 -0.31 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -98.92 101.73 13.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.843 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 t -167.92 158.19 10.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.816 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.8 159.99 21.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -87.33 114.47 23.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.1 p -58.12 -49.78 75.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.509 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 178.52 -75.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 52.63 39.97 29.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.855 0.36 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 7' ' ' GLY . 90.0 t -119.01 139.27 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.424 ' N ' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -159.22 143.5 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -150.79 131.43 13.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.7 mt -51.98 108.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -49.97 -46.26 52.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.91 161.06 15.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -102.29 -42.83 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -39.5 158.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -159.91 138.87 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.1 t -45.84 162.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.1 t -102.23 -44.06 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.19 -68.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.191 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 23' ' ' ASP . 21.1 p -89.97 -19.81 24.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 21' ' ' CYS . 10.3 ptt? 34.93 32.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 21' ' ' CYS . 2.3 m-20 -108.8 40.0 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ARG . . . 158.85 150.91 5.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.502 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' GLY . 32.0 mtm-85 -37.25 155.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.622 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -92.55 140.69 29.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.077 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.423 ' C ' ' OD1' ' A' ' 27' ' ' ASP . 1.2 t0 -81.19 -32.64 33.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.472 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.5 pp -152.08 168.93 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.6 mt -129.56 138.77 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.583 HD12 ' HE1' ' A' ' 36' ' ' PHE . 59.2 mt -95.38 156.19 37.91 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.657 0.742 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -1.26 8.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.73 2.287 . . . . 0.0 112.384 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 5.6 p -108.2 16.74 22.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.457 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 68.71 48.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 39.2 m170 -141.51 124.12 15.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.627 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 74.8 p -107.96 160.54 15.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.9 m-85 -149.59 124.51 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.3 p -69.22 173.75 5.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -62.84 -42.08 99.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -53.9 -67.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 84.7 m -46.99 -60.96 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.426 HD11 ' O ' ' A' ' 36' ' ' PHE . 77.4 mt -47.73 -61.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' ILE . 21.2 t70 -36.8 -52.81 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -56.34 -51.33 68.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -80.51 81.78 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.1 p -97.01 96.77 8.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.62 131.7 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -78.43 58.81 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -130.81 162.38 29.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -113.97 45.68 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -117.85 154.67 31.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.5 t -105.51 134.41 19.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -45.26 1.69 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 42.3 mm -52.19 -64.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 55' ' ' ARG . 72.1 m -48.09 -43.72 30.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 54' ' ' CYS . 14.6 ttp180 -36.69 -46.85 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 57' ' ' GLN . 18.5 mt -51.14 -56.62 11.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' LEU . 29.0 tt0 -34.63 -53.08 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.4 ttm -108.28 105.79 15.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 59' ' ' THR . 4.0 t -68.1 114.76 6.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.18 -177.31 49.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.98 174.48 6.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -72.48 85.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -55.77 106.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -163.11 115.48 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.1 m -131.74 135.55 46.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -131.83 -94.59 0.62 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.541 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 86.81 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.2 m -75.86 122.45 24.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -48.74 125.45 10.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.486 -179.935 . . . . . . . . 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 -0.306 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -110.69 111.18 22.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.833 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -145.51 119.83 9.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.21 66.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 m -74.28 101.59 4.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 t -117.06 109.17 16.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.63 -47.02 0.78 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.1 mtt85 52.66 47.8 23.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 86.5 t -120.42 141.56 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -80.83 43.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -152.18 118.29 5.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.82 130.93 37.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 13' ' ' THR . 15.1 t -174.87 129.32 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.1 133.3 40.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -99.43 -41.68 7.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.578 ' HG3' ' HB3' ' A' ' 26' ' ' ALA . 4.7 pt-20 -174.32 163.87 3.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -155.52 136.92 14.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -43.7 159.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.8 m -101.26 -44.19 5.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.53 -66.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' MET . 28.7 p -88.51 -28.2 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' CYS . 8.2 ptt? 37.75 35.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -83.53 -45.56 13.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.65 -126.66 3.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.432 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.58 178.72 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.854 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.595 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -109.07 136.54 48.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -86.39 -34.53 20.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.597 HD21 HD13 ' A' ' 41' ' ' ILE . 2.5 pp -144.3 156.18 44.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 mt -127.17 132.86 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.4 mt -94.23 158.02 36.61 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -0.3 6.74 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.244 . . . . 0.0 112.306 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.506 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 5.5 p -109.07 12.68 25.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 71.76 43.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -136.66 111.95 9.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.644 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 79.5 p -105.49 164.71 11.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.644 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.0 m-85 -150.08 130.96 14.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.5 p -79.71 167.85 20.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -58.93 -44.69 91.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -48.41 -63.29 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.1 m -56.37 -64.88 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.597 HD13 HD21 ' A' ' 28' ' ' LEU . 73.4 mt -41.3 -41.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -67.32 -55.97 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.33 -64.04 0.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -61.94 129.87 42.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.9 m -80.6 51.2 1.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 15.0 p-10 -115.7 100.99 8.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 mtp-105 -118.59 44.37 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -128.31 139.93 52.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -47.85 -21.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -57.31 142.92 41.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.2 t -99.0 126.02 39.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.636 0.731 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.81 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.5 mt -51.56 -63.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 57.3 m -47.09 -50.11 20.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -52.34 -37.82 57.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.0 mt -69.85 -57.3 5.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -71.65 77.69 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 34.7 mmm -128.85 170.37 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.6 m -57.96 143.8 41.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 156.89 -84.95 0.13 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.83 115.3 21.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.319 . . . . 0.0 111.088 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -46.75 122.41 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -161.13 139.49 9.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' SER . 8.2 t -79.95 67.71 5.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' SER . 86.3 p -34.79 -43.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 169.28 152.83 8.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.533 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 149.36 66.68 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.685 2.257 . . . . 0.0 112.341 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.2 t -169.84 130.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.4 p -100.59 135.22 42.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.818 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.452 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.6 m -154.45 171.23 19.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -170.41 157.25 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.6 131.83 4.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 m -109.54 150.96 27.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -97.46 170.46 9.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.52 50.6 1.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -124.46 46.31 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.9 t -142.86 125.56 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -73.27 120.12 18.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -168.64 140.52 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.4 tp -110.27 91.8 3.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 p -132.64 89.91 2.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -85.8 138.48 32.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -84.3 35.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -103.89 146.43 28.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -143.11 143.63 31.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.7 t -60.04 161.21 7.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -96.72 -43.63 7.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.2 mt -64.73 -71.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -79.76 -32.32 40.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.8 ptt? 38.75 32.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -116.65 34.64 4.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.94 -113.14 0.34 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.541 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -131.21 -179.29 5.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -124.29 144.64 49.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.17 -31.31 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.686 HD12 ' C ' ' A' ' 28' ' ' LEU . 3.4 pp -138.43 153.1 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.2 mt -125.64 142.74 41.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.595 HD12 ' HE1' ' A' ' 36' ' ' PHE . 43.4 mt -102.1 156.71 34.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 2.56 3.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.484 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 5.8 p -110.27 13.29 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 71.44 39.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -134.62 114.39 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.92 157.0 17.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.595 ' HE1' HD12 ' A' ' 30' ' ' LEU . 10.4 m-85 -140.85 127.23 19.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.0 p -77.32 153.25 34.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' LYS . 36.9 tp60 -44.19 -56.4 4.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 38' ' ' GLN . 36.2 mttt -38.11 -64.86 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 92.9 m -55.88 -58.27 8.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.587 HD11 ' O ' ' A' ' 36' ' ' PHE . 60.4 mt -42.0 -37.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.35 -55.12 9.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -46.72 -53.42 11.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.474 ' CG ' ' O ' ' A' ' 44' ' ' TRP . 8.1 p-90 -99.43 122.89 43.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.3 p -144.45 130.02 19.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -149.97 173.35 13.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -94.13 25.15 3.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -103.97 142.21 34.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.415 ' CD ' ' O ' ' A' ' 49' ' ' ARG . 1.2 ppt_? -106.5 32.24 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -115.09 142.21 46.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 14.1 t -56.08 124.02 57.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.632 0.73 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.465 ' HG2' ' CE2' ' A' ' 36' ' ' PHE . 54.3 Cg_endo -69.7 -10.68 29.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.254 . . . . 0.0 112.371 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.462 HG22 ' HB2' ' A' ' 57' ' ' GLN . 8.6 mm -95.32 -63.29 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 93.5 m -41.28 -30.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -44.75 -52.25 8.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.566 HD23 ' H ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -104.1 -32.63 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.462 ' HB2' HG22 ' A' ' 53' ' ' ILE . 33.6 mt-30 -99.26 64.28 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mtp -50.27 158.96 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.6 m -119.54 121.63 39.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.05 47.65 3.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.56 38.48 30.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 111.084 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -96.87 -52.94 3.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -75.04 -61.28 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.9 t -118.57 145.97 44.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.2 m -152.41 156.65 39.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.1 164.4 18.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 102.34 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.9 p -50.92 118.1 2.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.4 m -78.68 -55.94 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.505 179.985 . . . . . . . . 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 -0.313 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 p -139.25 122.29 16.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 p -150.14 157.92 43.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.73 148.03 9.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 m -39.43 105.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -91.15 42.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.91 80.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.6 92.83 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 t -126.43 35.73 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -125.17 102.88 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.52 117.93 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mt -125.44 93.85 3.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.5 p -139.48 108.87 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 15' ' ' GLU . 13.3 t70 -47.84 159.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 14' ' ' ASP . 2.0 tt0 -33.71 -44.82 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -139.57 159.98 40.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' CA ' ' HB2' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -174.66 142.17 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t -42.21 158.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.4 m -111.58 -36.23 5.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.7 -63.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.3 p -97.44 -12.35 22.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.8 mmt 42.61 52.89 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.63 -63.35 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.51 -39.9 0.1 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -112.67 163.85 14.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.852 0.358 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -131.87 117.42 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -69.2 -43.81 73.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.468 ' O ' HD12 ' A' ' 28' ' ' LEU . 2.8 pp -139.84 149.92 44.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.6 mp -123.1 135.84 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.4 mt -91.87 156.47 42.52 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 0.07 6.14 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.321 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.4 p -113.54 27.07 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.487 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 59.85 54.85 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.487 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 32.3 m170 -147.5 117.4 7.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.619 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 58.1 p -111.37 165.49 11.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 35' ' ' SER . 2.6 m-85 -148.07 118.97 7.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -71.53 160.71 32.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.408 ' CD ' ' C ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -49.55 -49.97 44.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -47.9 -58.83 3.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 62.8 m -55.93 -65.69 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.547 HD11 ' O ' ' A' ' 36' ' ' PHE . 45.0 mt -40.44 -53.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -46.43 -46.22 18.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -64.81 -54.28 33.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -42.48 110.28 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.6 p -93.82 -44.25 8.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.11 116.77 6.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.429 ' CD ' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -98.71 130.35 45.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.423 ' N ' ' HD3' ' A' ' 47' ' ' ARG . 1.9 p-80 -160.54 116.63 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -38.53 -33.57 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.43 ' OD1' ' C ' ' A' ' 50' ' ' ASN . 0.8 OUTLIER -69.87 156.97 38.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.9 t -81.33 137.25 48.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.421 ' O ' ' CB ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.76 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.366 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 42.3 mm -50.21 -63.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 82.3 m -50.76 -33.43 23.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 12.3 ttt85 -41.21 -51.62 3.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.718 HD23 ' H ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -97.56 -40.97 8.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 40.3 48.09 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 47.8 ttp -71.59 130.86 42.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 59' ' ' THR . 9.1 t -55.31 116.73 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 178.58 -70.48 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.25 167.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -85.91 162.73 18.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -67.91 -64.15 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 m 48.01 44.4 18.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.0 m -95.49 175.32 6.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.12 89.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.8 Cg_endo -69.76 3.03 3.01 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.347 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 67' ' ' PRO . 77.8 p -34.92 136.77 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 m -80.96 120.42 24.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.43 180.0 . . . . . . . . 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 -0.325 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t -158.77 116.95 2.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.877 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -152.43 171.55 17.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.71 -104.58 0.94 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t 66.63 42.31 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -71.43 161.31 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.55 82.68 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -102.64 146.28 28.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 110.83 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.4 m -65.74 166.91 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -103.36 91.87 4.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -96.58 159.25 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -169.44 162.8 10.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 14' ' ' ASP . 7.8 t -86.25 -44.2 12.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.454 ' N ' HG23 ' A' ' 13' ' ' THR . 0.3 OUTLIER -47.39 140.7 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -95.2 -49.97 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -131.15 172.28 12.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 24' ' ' GLY . 17.3 mm-40 -141.4 157.53 45.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.5 t -74.28 162.03 29.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.5 m -98.32 -39.2 8.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.6 mt -68.97 -72.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' MET . 20.7 p -83.97 -24.38 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' CYS . 4.7 ptt? 34.84 45.78 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.84 -45.46 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.456 ' O ' ' CD ' ' A' ' 17' ' ' GLU . . . -102.86 -122.52 5.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -119.97 175.29 5.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -96.69 128.87 44.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -82.78 -39.81 21.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.461 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.6 pp -145.0 157.26 44.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.7 mm -119.46 147.19 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.784 HD12 ' HE1' ' A' ' 36' ' ' PHE . 32.2 mt -109.89 156.61 39.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.557 0.694 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 1.61 4.22 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.416 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.4 p -111.36 19.19 18.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.478 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 62.1 53.97 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.478 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 41.4 m170 -144.32 117.37 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.553 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 85.0 p -102.83 160.78 14.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.784 ' HE1' HD12 ' A' ' 30' ' ' LEU . 10.3 m-85 -151.92 121.29 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -67.71 169.89 8.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -60.91 -44.81 96.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -51.15 -69.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.6 m -44.77 -61.15 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.505 HD11 ' O ' ' A' ' 36' ' ' PHE . 68.6 mt -45.53 -56.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -46.41 -58.93 3.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -53.1 -46.77 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' SER . 65.8 m95 -68.48 106.07 2.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' TRP . 16.1 m -35.09 138.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.22 40.1 1.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -83.97 -33.78 24.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -110.15 161.82 15.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.19 20.41 13.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -97.0 176.9 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.5 t -100.82 129.6 27.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.707 0.765 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -50.9 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.346 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.2 mm -50.41 -32.35 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 91.1 m -87.06 -53.31 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.4 ttp-105 -42.1 -33.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' GLN . 83.0 mt -66.12 -53.36 38.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' LEU . 14.9 mm-40 -37.64 -40.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.7 mtp -60.68 114.73 3.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -75.13 -57.72 3.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.126 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.48 152.04 33.45 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -124.95 137.44 54.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 111.104 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -68.09 158.6 32.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.1 144.5 31.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.5 p -122.97 41.49 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.4 m -38.3 -44.41 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.4 77.69 1.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 0.96 4.89 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.727 2.284 . . . . 0.0 112.34 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 m -76.78 173.05 12.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.1 t 58.27 42.02 22.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.518 179.991 . . . . . . . . 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 -0.309 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 m -134.09 42.59 2.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -88.92 177.63 6.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.08 51.48 2.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.457 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 p -174.67 111.55 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -132.89 124.25 27.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.44 57.91 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.5 mtt85 -150.7 153.73 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -73.47 156.22 6.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 11' ' ' GLN . 11.5 mptt -78.58 93.05 4.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 10' ' ' LYS . 13.5 mm100 34.44 43.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.1 mt -131.92 77.4 1.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.5 p -119.36 86.49 2.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.03 128.78 38.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -113.13 30.69 6.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 21.2 mp0 -107.3 157.72 17.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -143.84 136.8 27.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.4 t -48.91 155.29 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.3 m -106.17 -34.23 7.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.6 mt -62.26 -48.52 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.094 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.4 p -116.68 -37.71 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.8 ttm 66.33 45.31 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -68.51 -72.68 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.1 -76.27 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HD3' ' C ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -126.15 166.75 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.35 149.52 25.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.785 ' OD2' HD12 ' A' ' 41' ' ' ILE . 3.5 p30 -87.69 -29.26 21.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.722 HD21 HD13 ' A' ' 41' ' ' ILE . 3.9 pp -152.67 170.52 20.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.1 mt -137.99 130.6 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.8 mt -83.6 156.56 65.14 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.619 0.723 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 2.97 3.06 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.629 2.22 . . . . 0.0 112.38 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 p -110.18 19.14 19.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 66.14 54.59 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 31.1 m170 -143.48 118.1 9.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.496 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 11.8 p -102.92 156.98 17.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.71 ' HB2' HD11 ' A' ' 41' ' ' ILE . 6.7 m-85 -151.59 138.85 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.404 ' C ' ' OD2' ' A' ' 27' ' ' ASP . 23.9 p -94.12 154.63 17.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.459 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 13.8 mm-40 -46.07 -49.24 16.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -45.29 -46.19 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.5 m -77.78 -68.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.785 HD12 ' OD2' ' A' ' 27' ' ' ASP . 78.5 mt -40.53 -30.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -77.82 -44.79 26.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -57.12 -57.29 13.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.411 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 59.0 p-90 -91.52 125.46 36.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.6 m -129.64 107.79 9.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.52 128.31 47.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -39.56 -44.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -90.95 162.47 14.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.43 ' CD ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -93.07 33.06 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -77.91 160.51 28.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.8 t -80.77 131.02 61.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.721 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -49.96 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.3 mt -57.31 -62.27 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 59.1 m -47.24 -41.5 18.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -51.39 -47.35 62.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 mt -66.47 -43.43 85.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -92.72 87.33 5.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.6 tpt -80.54 -47.19 14.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.1 t -39.79 157.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.05 -146.81 43.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -164.83 171.46 14.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.75 -58.89 3.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -39.69 154.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.7 m -48.7 124.72 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -69.5 138.16 53.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.08 157.86 12.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 112.29 3.05 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.5 p -50.61 -55.93 14.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 t 68.48 42.21 1.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.486 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.3 p -156.75 129.89 7.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 0.0 110.789 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 m -125.34 152.37 44.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.61 133.63 21.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -112.08 145.33 39.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -137.81 137.76 38.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.47 55.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -100.0 92.12 5.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.922 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 9' ' ' VAL . 31.0 m -74.78 124.43 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -136.43 124.78 23.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -119.83 124.66 46.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp 40.58 41.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 24' ' ' GLY . 4.6 m -83.13 44.57 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' GLU . 1.3 p-10 -111.06 137.54 48.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 14' ' ' ASP . 14.3 pt-20 33.44 34.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 14' ' ' ASP . 86.9 mt-10 -151.28 154.23 36.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -174.99 136.8 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.8 t -47.16 160.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 m -113.35 -31.58 6.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.645 HD11 ' CE2' ' A' ' 36' ' ' PHE . 84.6 mt -66.9 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 22' ' ' MET . 17.1 p -101.26 -3.68 28.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 21' ' ' CYS . 2.9 mmt 35.57 53.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -72.46 -52.31 16.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.426 ' O ' HG23 ' A' ' 13' ' ' THR . . . 158.26 -38.0 0.52 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -102.7 147.4 26.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.81 124.41 39.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -76.46 -38.73 54.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.617 HD21 HD12 ' A' ' 41' ' ' ILE . 3.2 pp -149.93 155.16 39.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.1 mp -123.75 140.24 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.0 mt -99.33 157.08 34.66 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.605 0.717 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 1.11 4.72 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.64 2.227 . . . . 0.0 112.368 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.2 p -114.38 20.68 15.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 65.33 54.08 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -143.32 108.76 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.6 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 59.4 p -104.0 164.72 11.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.645 ' CE2' HD11 ' A' ' 20' ' ' ILE . 4.5 m-85 -146.3 116.9 7.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 38' ' ' GLN . 29.7 p -71.92 148.71 45.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -33.2 -50.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -53.24 -51.76 61.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 37' ' ' CYS . 56.7 m -64.1 -41.08 97.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.617 HD12 HD21 ' A' ' 28' ' ' LEU . 45.9 mm -47.21 -50.79 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.114 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 43' ' ' LYS . 29.1 t70 -56.37 -58.71 6.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' ASP . 5.7 tppt? -35.01 -56.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CH2' ' HB2' ' A' ' 52' ' ' PRO . 97.8 m95 -70.57 89.51 0.72 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.948 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.6 t -71.78 -33.98 69.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -88.89 51.67 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' A' ' 48' ' ' HIS . 3.2 tmt_? -67.77 131.18 45.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.511 ' CD2' ' N ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -158.72 165.51 34.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.5 tpt85 -39.06 -51.57 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -48.66 157.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.0 t -104.94 133.91 19.91 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.607 0.718 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.485 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 53.8 Cg_endo -69.76 -39.22 6.77 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.2 mm -66.15 -66.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 92.9 m -41.2 -46.23 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -39.02 -40.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 57' ' ' GLN . 41.5 mt -78.19 -53.54 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 56' ' ' LEU . 5.7 mt-30 -34.38 104.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.475 ' HG2' ' N ' ' A' ' 59' ' ' THR . 57.1 ttm -44.48 161.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.475 ' N ' ' HG2' ' A' ' 58' ' ' MET . 1.7 m 69.91 45.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -139.88 -46.3 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.18 148.91 50.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.357 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.88 89.53 7.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -88.69 41.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.1 t 47.13 46.1 16.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.1 p -89.24 121.86 31.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.79 -97.19 0.11 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.8 Cg_endo -69.74 -21.68 33.23 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.326 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 67' ' ' PRO . 67.3 m -35.31 108.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.1 p -97.89 90.4 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.477 -179.956 . . . . . . . . 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 -0.287 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -132.9 159.8 38.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -97.49 149.7 21.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.76 42.67 59.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 m -150.3 163.9 37.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -99.06 -45.65 5.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.76 55.2 30.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -72.47 122.79 21.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 110.833 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.3 t -114.0 136.9 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -122.67 120.02 32.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -153.08 135.61 15.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.573 HD12 ' N ' ' A' ' 13' ' ' THR . 1.0 OUTLIER -126.39 164.19 21.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.573 ' N ' HD12 ' A' ' 12' ' ' LEU . 1.8 t -157.66 121.56 4.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.05 135.74 53.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -50.94 -53.46 32.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -86.34 151.02 23.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.481 ' C ' ' HB2' ' A' ' 26' ' ' ALA . 1.9 pm0 -174.14 137.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.7 t -52.6 162.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.2 t -109.13 -34.7 6.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 90.0 mt -68.78 -69.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.2 p -85.14 -43.44 13.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 25.9 mtp 65.33 42.25 3.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' CG ' ' N ' ' A' ' 24' ' ' GLY . 5.1 p-10 -78.32 -52.4 8.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.426 ' N ' ' CG ' ' A' ' 23' ' ' ASP . . . -140.15 -136.01 3.29 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.63 167.49 20.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.481 ' HB2' ' C ' ' A' ' 17' ' ' GLU . . . -104.46 138.15 41.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.48 -33.06 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.452 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.6 pp -154.17 166.48 32.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 mt -131.87 137.22 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.8 mt -94.24 156.05 39.27 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.66 0.743 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.45 3.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.4 p -116.17 24.82 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 61.68 48.53 5.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -138.76 108.23 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.484 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -107.71 161.34 14.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.811 -179.714 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.672 ' O ' HD11 ' A' ' 41' ' ' ILE . 8.9 m-85 -149.59 137.09 20.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.5 p -77.51 165.47 24.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -52.82 -42.9 65.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -55.97 -69.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 97.9 m -46.88 -57.01 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.672 HD11 ' O ' ' A' ' 36' ' ' PHE . 56.3 mt -50.09 -53.09 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -42.91 -41.55 3.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -85.23 -67.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -47.5 -60.98 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.444 ' HB2' HG23 ' A' ' 41' ' ' ILE . 5.6 m -80.32 59.74 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -94.63 -44.95 7.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -105.88 -53.72 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.55 175.52 5.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.1 mtp85 -130.09 40.17 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -98.13 155.89 16.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.1 t -75.4 118.06 67.92 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.675 0.75 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -48.74 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.675 2.25 . . . . 0.0 112.38 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.1 mt -49.58 -50.51 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.2 m -69.5 -44.4 71.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.0 -35.69 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 57' ' ' GLN . 49.5 mt -53.62 -41.79 67.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 56' ' ' LEU . 13.3 pt20 -34.6 110.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.2 152.11 17.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.9 t -115.93 -9.72 11.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -178.86 125.66 1.0 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.52 122.27 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.08 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -132.36 161.08 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -133.8 145.56 49.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' SER . 19.7 t -103.73 149.48 24.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' SER . 1.4 t -37.59 155.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.833 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -54.02 179.92 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 135.04 29.48 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.647 2.232 . . . . 0.0 112.327 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.1 t -50.62 156.71 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.3 p -120.93 152.65 38.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 119.136 -0.814 . . . . 0.0 112.477 -179.988 . . . . . . . . 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 -0.31 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 t -148.41 136.64 21.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 t -152.96 129.13 10.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.74 -105.56 1.15 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' SER . 36.5 m -69.3 -51.58 35.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' SER . 40.5 m 35.94 37.92 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.26 87.9 0.48 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.73 97.56 11.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.5 m -48.22 148.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.74 74.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.924 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -139.28 136.67 35.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.5 mt -127.04 107.45 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.8 p -59.64 -45.77 91.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.32 150.77 19.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.41 -43.32 88.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -102.48 176.77 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -159.36 151.91 21.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.0 t -44.53 162.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.0 m -112.46 -34.88 5.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.12 -49.02 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.2 p -114.52 -26.64 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.1 mtp 54.19 45.78 26.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -55.21 -52.93 61.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.53 -42.18 0.11 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.436 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -118.03 172.35 7.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.65 ' HB1' ' HB3' ' A' ' 35' ' ' SER . . . -137.19 112.17 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.89 -47.6 77.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 pp -134.9 166.48 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.6 mt -136.93 146.01 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.447 HD12 ' HE1' ' A' ' 36' ' ' PHE . 49.5 mt -102.42 156.31 35.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.645 0.736 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 2.74 3.28 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.668 2.246 . . . . 0.0 112.355 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.1 p -117.89 27.2 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.446 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 60.12 53.24 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 39.8 m170 -143.67 112.12 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.65 ' HB3' ' HB1' ' A' ' 26' ' ' ALA . 12.3 m -110.27 158.56 18.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.632 ' O ' HD11 ' A' ' 41' ' ' ILE . 2.1 m-85 -142.65 114.85 8.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 p -67.42 155.66 38.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -45.66 -52.92 10.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -43.7 -59.78 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 41' ' ' ILE . 73.0 m -58.69 -62.24 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.632 HD11 ' O ' ' A' ' 36' ' ' PHE . 87.1 mt -37.91 -50.83 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -57.54 -55.9 28.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -52.48 -52.49 54.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -88.78 42.02 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 t -38.21 -49.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.815 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -63.98 98.72 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -150.65 115.99 5.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -72.32 168.06 19.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.74 -37.94 14.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -66.99 165.44 15.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 37.5 t -84.26 134.9 42.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.643 0.735 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.449 ' O ' HD23 ' A' ' 56' ' ' LEU . 53.9 Cg_endo -69.7 -50.92 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.7 mm -48.57 -51.6 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 75.5 m -66.89 -30.87 71.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -43.05 -60.97 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.78 HD23 ' H ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -69.78 -27.31 64.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -94.39 77.02 3.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -94.22 23.94 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.0 t -75.52 137.76 41.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 116.92 -68.95 0.29 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.431 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 60.05 43.3 14.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.361 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -49.89 -58.01 6.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -82.33 119.85 24.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.8 t -141.09 125.72 17.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.7 p -123.23 156.82 34.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.87 122.06 0.8 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 152.35 69.03 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.8 m -160.84 144.61 13.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 t 46.09 42.37 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.523 -179.97 . . . . . . . . 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 -0.348 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -84.43 175.36 9.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.913 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 p -134.29 129.53 35.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.23 129.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.455 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -129.95 143.8 50.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.81 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -134.86 140.57 45.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.93 66.99 0.31 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -87.1 133.7 33.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.5 t -88.72 136.77 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -56.34 116.12 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -103.47 42.58 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 mt -65.17 111.88 3.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.4 p -109.67 -48.68 3.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -104.24 128.14 51.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -83.68 -54.98 4.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -119.7 176.04 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' HA ' ' N ' ' A' ' 26' ' ' ALA . 12.5 mp0 -146.29 139.93 26.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.5 t -42.72 159.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.2 m -102.61 -42.01 6.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 93.8 mt -59.52 -68.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.7 p -88.94 -33.38 17.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.3 ptt? 40.73 39.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.07 -43.59 9.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.95 -103.33 2.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -132.97 -176.34 4.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.327 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -103.79 128.64 51.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.96 -39.23 26.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.412 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.3 pp -146.58 167.31 24.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.2 mm -127.22 144.65 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.7 HD12 ' HE1' ' A' ' 36' ' ' PHE . 18.8 mt -105.55 158.68 31.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -0.09 6.36 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.38 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 5.6 p -108.91 16.76 22.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 66.89 44.58 2.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -134.68 130.58 36.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.494 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 20.4 p -113.74 158.36 21.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.7 ' HE1' HD12 ' A' ' 30' ' ' LEU . 28.6 m-85 -151.2 131.64 13.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -81.71 163.09 22.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -49.82 -50.6 44.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -48.44 -61.6 1.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.8 m -53.55 -63.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.1 mt -43.33 -40.89 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.62 -38.31 84.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -72.67 -67.53 0.55 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.492 ' CZ3' ' HD3' ' A' ' 52' ' ' PRO . 7.6 p-90 -76.8 174.77 10.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.476 ' N ' ' CE3' ' A' ' 44' ' ' TRP . 4.7 t 72.39 43.86 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -104.77 -38.94 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -104.21 -42.16 5.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -116.06 155.77 27.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -116.81 41.01 2.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -120.91 147.62 45.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 37.6 t -55.35 115.12 8.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.689 0.756 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.492 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 53.7 Cg_endo -69.75 -42.3 3.53 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.4 mm -50.74 -49.87 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 57.3 m -56.81 -36.57 70.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -59.83 -59.52 5.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.701 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -61.47 -34.18 75.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -57.93 105.81 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 59' ' ' THR . 5.2 mmm -86.21 100.79 12.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 58' ' ' MET . 26.0 p 36.11 38.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.48 -114.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.19 117.45 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -133.49 98.43 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -58.23 139.72 54.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 57.7 m -91.81 145.92 24.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.0 t -55.6 -43.67 76.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.408 ' HA3' ' HD2' ' A' ' 67' ' ' PRO . . . 101.55 -147.45 17.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.408 ' HD2' ' HA3' ' A' ' 66' ' ' GLY . 53.5 Cg_endo -69.79 100.97 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.638 2.226 . . . . 0.0 112.352 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 m -84.8 158.82 20.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.4 p -56.57 -55.39 34.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.497 179.997 . . . . . . . . 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 1.452 -0.293 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -95.99 174.51 6.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.379 . . . . 0.0 110.845 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -94.01 102.51 14.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.74 -166.79 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -130.67 153.82 48.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -57.29 155.63 8.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.91 170.2 33.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.519 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.21 41.32 20.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.377 . . . . 0.0 110.898 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.2 t -40.72 133.76 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -111.07 55.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -127.24 -8.91 5.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.57 105.97 5.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.2 t -170.11 129.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -102.05 154.04 19.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -113.24 -49.68 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -106.53 177.11 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -174.7 147.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.0 t -44.61 165.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.4 t -112.93 -32.08 6.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 93.4 mt -72.13 -53.58 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -95.24 -37.27 11.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 11.9 mtm 58.98 36.05 24.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -82.89 -71.66 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.82 -162.58 12.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -57.29 -178.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.19 139.95 47.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' CG ' ' HG2' ' A' ' 38' ' ' GLN . 1.4 m-20 -76.04 -35.82 59.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.476 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.5 pp -144.13 157.1 44.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.8 mt -131.36 130.14 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.723 HD13 ' HB2' ' A' ' 51' ' ' CYS . 60.8 mt -88.79 156.07 50.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.594 0.712 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 3.08 2.96 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.722 2.282 . . . . 0.0 112.348 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.7 p -108.59 18.61 20.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 65.9 39.93 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.455 ' NE2' HG21 ' A' ' 53' ' ' ILE . 27.6 m170 -134.95 122.28 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 56.0 p -119.31 161.25 20.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.699 ' O ' HD11 ' A' ' 41' ' ' ILE . 6.3 m-85 -150.39 132.38 15.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.8 p -77.55 150.36 34.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.441 ' HG2' ' CG ' ' A' ' 27' ' ' ASP . 6.2 mm100 -42.41 -57.24 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -38.55 -59.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' ILE . 82.2 m -62.05 -63.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.699 HD11 ' O ' ' A' ' 36' ' ' PHE . 75.0 mt -36.01 -44.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -76.13 -43.11 44.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -58.62 -61.26 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -63.11 103.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.0 t -91.8 80.65 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.13 169.42 13.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -116.13 34.35 5.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.429 ' CG ' ' ND2' ' A' ' 50' ' ' ASN . 2.6 p80 -169.5 110.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.68 -31.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.512 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -40.05 142.73 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.723 ' HB2' HD13 ' A' ' 30' ' ' LEU . 20.7 t -56.0 132.72 74.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.438 ' HG2' ' CE2' ' A' ' 36' ' ' PHE . 53.0 Cg_endo -69.8 -50.51 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.455 HG21 ' NE2' ' A' ' 34' ' ' HIS . 8.6 mm -50.19 -57.43 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.439 ' HA ' ' CB ' ' A' ' 57' ' ' GLN . 57.3 m -54.0 -35.62 62.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -44.21 -37.8 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 58' ' ' MET . 2.1 pp -105.11 -30.97 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 56' ' ' LEU . 14.6 tm0? -33.93 93.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 56' ' ' LEU . 12.3 mmt 35.88 49.12 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.2 35.51 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.11 86.1 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.445 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.85 92.26 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -115.64 91.85 3.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -74.28 148.18 41.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.9 m -160.51 162.81 33.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.8 p -105.71 -56.29 2.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.78 -64.45 0.37 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.88 3.12 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.8 p -53.79 137.96 36.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.789 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.0 t -68.12 131.53 45.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.506 -179.914 . . . . . . . . 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 1.452 -0.255 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -99.28 121.67 41.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.896 0.379 . . . . 0.0 110.869 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 4' ' ' GLY . 33.9 t -63.37 -47.49 81.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.19 42.23 0.37 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.406 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -93.35 85.55 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 0.0 110.874 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -130.57 167.39 18.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.83 124.33 1.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -170.43 105.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.362 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 9' ' ' VAL . 33.3 m -68.71 116.88 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -117.74 40.37 3.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -118.71 147.58 43.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mp -96.6 125.2 40.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.2 p -85.33 86.94 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -134.71 159.64 40.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -78.57 -40.71 33.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.743 ' HG2' HD11 ' A' ' 29' ' ' ILE . 45.1 mp0 -48.29 156.84 0.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' C ' ' HB2' ' A' ' 26' ' ' ALA . 20.8 pt-20 -163.09 155.87 18.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.4 t -59.04 162.78 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 m -103.94 -44.36 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.62 -67.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.0 p -85.39 -27.61 25.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.8 ptt? 39.56 33.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -111.89 45.13 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.44 -141.21 6.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -96.22 -175.0 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.627 ' HB1' ' HB3' ' A' ' 35' ' ' SER . . . -121.6 125.43 46.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -75.21 -41.85 56.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.417 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.5 pp -139.99 155.25 47.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.743 HD11 ' HG2' ' A' ' 16' ' ' GLU . 46.7 mt -125.27 128.32 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.1 mt -89.01 157.22 48.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.11 3.8 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.745 2.297 . . . . 0.0 112.304 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.0 p -113.16 22.71 14.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 62.51 46.44 5.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.596 ' NE2' HG21 ' A' ' 53' ' ' ILE . 29.7 m170 -138.24 106.96 5.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.627 ' HB3' ' HB1' ' A' ' 26' ' ' ALA . 6.9 m -102.69 161.06 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.1 m-85 -145.64 136.87 24.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -84.04 163.67 19.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -53.49 49.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -41.71 -66.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.1 m -52.52 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.2 mt -40.59 -35.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -72.07 -51.95 19.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -44.32 -51.43 8.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -65.88 126.67 29.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.8 m -61.02 162.67 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -41.16 103.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -122.71 146.46 47.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -50.35 178.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.48 ' HD2' ' N ' ' A' ' 49' ' ' ARG . 9.4 mpt_? -84.27 46.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -103.76 172.41 6.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.4 t -112.24 124.05 32.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.423 ' HG2' HD12 ' A' ' 53' ' ' ILE . 53.9 Cg_endo -69.72 -42.94 3.0 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.596 HG21 ' NE2' ' A' ' 34' ' ' HIS . 2.3 mp -53.37 -51.26 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 92.9 m -68.2 -37.53 81.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -49.22 -38.26 25.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.8 mt -52.53 -53.31 47.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -81.81 76.14 8.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.0 ttt -74.98 144.08 43.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 45.7 p -58.24 166.81 1.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.29 168.06 34.06 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -173.13 138.12 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -72.71 146.72 46.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -63.74 166.8 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 t -63.84 106.11 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.9 m -113.85 -52.23 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -107.67 83.49 0.34 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -11.2 30.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.248 . . . . 0.0 112.332 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.9 t -153.74 136.28 15.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.813 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.7 m 43.07 42.14 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.157 -0.801 . . . . 0.0 112.506 -179.96 . . . . . . . . 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 . . . . . 0.447 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 1' ' ' GLY . 61.8 p -34.86 139.05 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -132.94 141.89 48.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.1 -176.49 2.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p -172.93 175.0 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.389 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -49.46 144.85 5.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.11 131.02 3.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.95 148.46 23.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.828 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.7 m -58.03 166.94 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.173 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 3.0 mppt? -78.61 141.14 38.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -112.28 41.0 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.957 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.0 mt -133.13 149.45 52.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.9 t -174.14 130.3 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -90.08 157.51 17.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -113.54 -30.85 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -104.26 170.51 7.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -173.59 147.59 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 t -51.91 163.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.4 m -105.14 -39.73 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.1 mt -67.85 -66.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -81.48 -35.57 30.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 49.0 mtp 52.2 42.58 30.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -109.03 -45.54 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.72 -159.1 15.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -79.38 -176.04 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.465 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -112.17 120.94 43.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.18 -41.84 63.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 pp -144.27 154.59 43.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.2 mt -125.01 138.65 53.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.0 mt -94.29 156.29 38.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.561 0.696 . . . . 0.0 110.943 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 3.0 3.0 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.2 p -114.37 20.16 15.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.547 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 66.16 54.94 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 36.9 m170 -146.18 117.97 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.655 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 59.8 p -113.33 160.51 18.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.735 ' O ' HD11 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -146.88 119.74 8.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -67.97 167.71 13.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -54.86 -45.16 74.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -66.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 95.5 m -50.65 -60.87 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.735 HD11 ' O ' ' A' ' 36' ' ' PHE . 77.4 mt -44.84 -44.44 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.19 -45.38 77.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -50.7 -60.72 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.563 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 55.6 p-90 -90.77 106.86 18.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.9 m -55.59 132.98 50.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -73.55 78.57 1.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -74.98 -52.54 10.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.28 179.24 5.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -120.42 45.66 2.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -132.25 171.44 13.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.6 t -83.69 126.59 70.56 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.291 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.1 mm -49.77 -55.91 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 92.8 m -60.73 -37.68 82.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -39.21 68.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.5 mt -57.17 -32.28 66.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 56.58 45.78 21.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 28.5 tpp -47.63 -52.98 16.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.9 m -109.62 119.45 39.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.157 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -162.61 117.11 0.75 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 40.65 41.99 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 0.0 111.062 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -89.23 145.45 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 64' ' ' SER . 11.3 tp10 -118.42 155.74 30.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 73.9 m -68.89 110.02 4.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.8 p -126.44 165.31 19.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -49.21 -68.61 1.27 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 158.71 55.96 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.683 2.256 . . . . 0.0 112.332 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 t 42.82 45.72 4.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.0 t -97.59 -58.37 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.442 -179.963 . . . . . . . . 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 1.452 -0.298 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -161.45 176.03 11.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 0.0 110.849 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -171.33 117.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.66 98.75 1.98 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 m -84.58 42.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -101.74 93.47 5.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.95 130.16 0.82 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -100.78 43.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -83.1 77.79 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.6 92.21 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -127.31 79.2 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.7 mt -121.93 86.14 2.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 t -171.7 127.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -148.3 157.1 43.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -43.74 -42.72 5.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.65 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 16.7 mt-10 -106.21 165.9 10.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -157.41 128.83 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.3 t -54.33 160.17 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -100.79 -40.83 7.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 80.1 mt -66.01 -63.09 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.3 p -88.3 -40.04 13.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.2 ttm 50.81 45.2 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -104.39 -48.2 3.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.25 -116.93 4.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -123.8 159.3 29.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.799 0.333 . . . . 0.0 110.857 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.65 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . . . -92.23 130.9 37.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.93 -38.97 44.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.445 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.6 pp -133.95 159.12 41.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.0 mt -127.61 136.53 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.9 mt -95.17 156.09 38.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 0.0 110.936 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 1.08 4.74 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.649 2.232 . . . . 0.0 112.336 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.0 p -115.01 25.74 10.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.82 51.1 4.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.636 ' NE2' HG21 ' A' ' 53' ' ' ILE . 39.6 m170 -141.63 109.54 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.596 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -108.74 161.1 15.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.748 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 35' ' ' SER . 2.8 m-85 -146.9 139.62 25.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.9 p -83.95 166.54 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -58.55 -45.21 89.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.9 -62.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.5 m -58.97 -64.07 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.1 mt -40.88 -35.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -77.21 -52.08 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -40.3 -60.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -74.61 136.6 42.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.961 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 t -68.92 173.46 5.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -114.86 109.81 18.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.828 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -128.86 -53.24 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -98.37 -34.53 10.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 64.06 46.83 3.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -119.46 163.48 17.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 t -70.04 117.75 57.04 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -49.2 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.636 HG21 ' NE2' ' A' ' 34' ' ' HIS . 25.6 mm -43.8 -67.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 89.7 m -48.03 -41.87 26.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.422 ' C ' ' HD3' ' A' ' 55' ' ' ARG . 2.0 tmt_? -58.11 -44.39 87.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.1 mt -52.56 -51.06 61.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.09 95.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.54 127.26 31.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 44.9 m -102.24 89.28 3.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.72 69.77 0.27 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.43 168.57 18.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.309 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -101.07 170.77 8.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.26 166.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.0 p -47.28 115.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.5 p -104.8 169.67 8.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.65 -154.82 4.97 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 136.83 33.89 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' SER . 3.0 m -74.41 -60.14 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' SER . 8.6 t -36.68 133.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.181 -0.789 . . . . 0.0 112.462 -179.981 . . . . . . . . 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 -0.355 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 p -162.28 125.09 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.371 . . . . 0.0 110.895 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -169.79 143.61 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.02 -133.45 0.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -76.13 96.74 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 m -169.62 166.75 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.05 -168.76 41.86 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' VAL . 62.9 mtt180 -110.93 98.78 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.355 . . . . 0.0 110.89 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' ARG . 35.8 m -37.49 132.97 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -163.76 131.7 3.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -128.16 44.51 2.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.7 143.66 51.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.3 m -155.92 123.96 5.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.136 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -106.45 148.34 28.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -98.53 -34.59 10.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.577 ' CG ' ' HB3' ' A' ' 26' ' ' ALA . 0.6 OUTLIER -92.53 165.28 13.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' C ' ' HB2' ' A' ' 26' ' ' ALA . 39.3 mt-10 -148.67 140.44 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.6 t -44.29 158.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.0 m -99.93 -42.73 6.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.16 -67.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 23' ' ' ASP . 27.2 p -89.26 -30.79 18.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.9 ptp 39.86 29.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' CYS . 29.2 m-20 -108.52 46.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.97 -108.75 0.3 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.19 160.37 40.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.589 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -101.33 130.77 47.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.69 -39.46 44.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.45 HD21 HD13 ' A' ' 41' ' ' ILE . 3.4 pp -142.45 166.68 24.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -131.24 128.03 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.2 mt -81.85 156.84 69.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.672 0.748 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 2.65 3.32 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.73 2.287 . . . . 0.0 112.366 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.2 p -114.55 21.27 14.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 66.14 46.78 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -139.2 113.85 9.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.622 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 53.8 p -104.77 164.19 11.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 35' ' ' SER . 5.7 m-85 -151.03 131.76 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -80.33 160.18 25.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -49.83 -42.07 46.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -53.9 -63.24 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.2 m -56.02 -57.78 10.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.45 HD13 HD21 ' A' ' 28' ' ' LEU . 84.1 mt -45.93 -49.09 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.81 -44.59 90.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -49.94 70.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.8 m95 -75.85 100.64 4.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.971 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.3 p -80.8 43.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -107.76 119.8 40.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.67 89.59 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -155.74 169.97 23.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -92.91 43.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -121.02 173.51 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.2 t -125.69 133.37 24.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -49.07 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.305 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.44 -35.32 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 68.0 m -81.69 -32.55 31.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -58.56 -56.58 20.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.466 ' C ' HD12 ' A' ' 56' ' ' LEU . 1.6 pp -64.18 -39.69 94.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -65.25 96.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 29.5 mtm -96.03 -46.79 6.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 74.8 p -40.92 122.72 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.87 137.97 24.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.21 93.05 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 111.064 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 40.01 41.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -137.23 161.88 34.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.2 p -50.02 134.32 21.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.7 m -120.66 160.1 23.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.27 -95.0 0.83 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 127.33 14.46 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 65.7 p -116.43 147.85 41.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.9 t -152.32 130.75 12.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.464 -179.955 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -142.74 119.24 10.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.389 . . . . 0.0 110.851 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -89.45 150.38 22.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.01 -158.73 51.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -131.9 127.22 36.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.865 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -152.95 131.27 12.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.57 -128.75 2.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.6 100.67 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.8 m -67.17 137.71 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -155.19 144.04 20.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -118.9 43.11 2.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 mt -136.81 160.68 38.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.5 p -148.49 113.07 5.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -106.65 140.8 38.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -86.97 -46.51 9.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.611 ' HG2' HD11 ' A' ' 29' ' ' ILE . 5.8 mt-10 -112.02 156.86 21.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' HG3' ' C ' ' A' ' 16' ' ' GLU . 25.7 mt-10 -154.98 134.96 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.8 t -54.21 159.07 2.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.8 t -112.23 -23.39 10.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mt -77.38 -65.79 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.4 p -96.87 -25.64 15.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.4 mtt 56.26 46.88 20.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -56.48 -44.06 80.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.57 -30.83 0.36 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.533 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 mmm-85 -130.03 177.08 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.671 ' HB1' ' OG ' ' A' ' 35' ' ' SER . . . -138.25 145.05 40.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' CG ' ' HG2' ' A' ' 38' ' ' GLN . 16.1 t70 -91.01 -32.48 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 pp -155.88 149.43 24.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.611 HD11 ' HG2' ' A' ' 16' ' ' GLU . 80.6 mt -117.32 143.03 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.0 mt -94.67 156.23 38.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.573 0.701 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 2.56 3.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.456 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 6.9 p -115.97 20.1 14.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 69.07 49.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.415 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 45.8 m170 -140.78 112.43 7.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.671 ' OG ' ' HB1' ' A' ' 26' ' ' ALA . 3.0 t -107.1 162.98 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.715 ' O ' HD11 ' A' ' 41' ' ' ILE . 4.0 m-85 -148.22 120.53 8.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 p -70.83 161.91 30.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' HG2' ' CG ' ' A' ' 27' ' ' ASP . 5.2 mm-40 -49.07 -51.41 31.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -45.12 -64.32 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.2 m -52.71 -62.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.715 HD11 ' O ' ' A' ' 36' ' ' PHE . 52.1 mt -43.36 -39.48 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -68.85 -50.17 52.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -58.92 -53.52 57.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -74.51 141.39 44.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.9 m -100.46 107.1 18.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -162.49 130.12 3.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -112.15 -57.06 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -43.52 165.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -83.39 44.27 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -91.38 170.71 9.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 45.2 t -129.98 120.64 19.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.626 0.727 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -48.76 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.6 mt -52.19 -50.41 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 98.5 m -69.96 -39.81 75.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -23.45 36.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.0 mt -91.55 -38.59 12.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -104.92 56.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.1 mtt -45.11 131.53 7.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.7 t -43.4 162.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.126 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -102.3 53.14 0.8 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.4 152.34 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -57.06 132.06 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -152.88 146.13 24.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 t -72.6 135.24 45.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.0 p -152.25 145.54 24.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.41 81.82 0.55 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -33.84 15.87 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.726 2.284 . . . . 0.0 112.313 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.7 p -88.8 158.31 18.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 t -60.58 93.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.506 -179.999 . . . . . . . . 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 -0.363 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -164.52 158.28 18.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.811 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 p -169.37 121.23 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.91 141.29 4.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -139.42 157.36 45.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.885 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 p -111.96 174.35 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.71 163.92 50.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -70.53 130.23 41.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.7 t -121.21 130.6 74.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.059 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -123.79 52.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -143.82 162.99 34.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.38 121.05 18.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.4 p -109.92 -46.27 3.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.69 149.22 40.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -100.21 -49.89 4.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.698 ' HG2' HD11 ' A' ' 29' ' ' ILE . 9.1 mp0 -105.88 161.5 14.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.502 ' C ' ' HB2' ' A' ' 26' ' ' ALA . 32.3 mt-10 -159.78 145.97 15.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.5 t -60.56 159.32 10.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.4 t -95.29 -45.5 7.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.4 -74.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -80.02 -33.43 39.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.7 ptp 40.02 36.41 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.08 -54.35 4.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.73 -114.79 3.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -117.29 173.79 6.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.502 ' HB2' ' C ' ' A' ' 17' ' ' GLU . . . -103.76 140.34 37.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -84.19 -36.95 22.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.5 pp -142.43 167.66 21.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.698 HD11 ' HG2' ' A' ' 16' ' ' GLU . 20.3 mt -133.84 135.8 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -92.83 158.38 37.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.32 2.83 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 4.8 p -110.66 14.34 22.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 71.14 31.92 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -124.55 111.23 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.644 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 1.2 m -103.72 162.87 12.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.644 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.3 m-85 -149.49 148.94 30.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -90.79 169.74 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -61.86 -44.92 95.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -49.36 -61.57 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 83.5 m -59.58 -64.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.0 mt -40.12 -44.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -46.5 -60.3 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -55.05 -42.17 72.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -78.2 167.15 21.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.9 t -92.77 106.31 18.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -91.08 41.24 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.3 mtt-85 -86.7 -47.02 9.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -110.8 174.29 5.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.42 17.67 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -62.37 123.63 18.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 t -97.62 118.0 64.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.639 0.733 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -13.15 34.22 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 2.236 . . . . 0.0 112.359 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.6 mm -86.45 -59.97 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 73.6 m -62.16 -27.02 68.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.411 ' C ' ' HD3' ' A' ' 55' ' ' ARG . 0.8 OUTLIER -46.69 -38.38 9.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.443 ' HG ' ' N ' ' A' ' 57' ' ' GLN . 0.6 OUTLIER -93.58 -35.58 12.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.443 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 43.5 tt0 -77.46 104.74 8.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -59.78 127.01 29.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.1 m -114.25 150.82 33.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.24 96.05 0.27 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.511 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.79 83.52 2.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.755 0.312 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -71.88 -48.17 47.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -74.42 159.36 32.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.3 t -164.99 124.15 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.8 m -58.2 -49.8 75.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.61 174.79 36.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -46.43 1.21 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.695 2.263 . . . . 0.0 112.316 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.4 t -87.44 115.67 25.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.8 t -55.82 -49.72 72.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.504 -179.97 . . . . . . . . 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 ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.791 0.329 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -164.99 148.97 8.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.6 t -41.84 156.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.3 m -101.66 -34.11 9.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 94.3 mt -67.91 -69.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 p -86.03 -40.99 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.0 ttp 62.48 51.75 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.31 -62.47 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.91 -41.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -128.2 164.2 23.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.904 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.16 134.33 55.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -71.48 -35.29 70.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.611 HD21 HD13 ' A' ' 41' ' ' ILE . 3.3 pp -151.93 170.87 18.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.3 mt -139.31 142.79 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.531 HD12 ' HE1' ' A' ' 36' ' ' PHE . 52.1 mt -100.3 156.18 35.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.914 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 2.92 3.12 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 4.1 p -111.67 17.52 19.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 68.66 44.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -137.22 118.22 14.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.571 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 8.9 p -112.25 157.81 20.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.69 ' O ' HD11 ' A' ' 41' ' ' ILE . 2.5 m-85 -150.43 130.46 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.0 p -79.88 166.56 21.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.425 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . 2.6 tp60 -55.86 -46.88 78.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -46.59 -64.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 43' ' ' LYS . 63.8 m -58.72 -64.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.69 HD11 ' O ' ' A' ' 36' ' ' PHE . 79.0 mt -37.54 -48.12 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -65.32 -41.96 93.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.6 tmtm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.4 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.59 0.709 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -51.33 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.71 2.274 . . . . 0.0 112.342 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.7 mm -52.71 -60.87 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 97.1 m -54.97 -51.15 67.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 26.8 mp0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 17' ' ' GLU . 30.7 mp0 -146.66 133.92 20.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.3 t -41.05 161.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.7 m -108.86 -38.16 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 89.1 mt -62.68 -59.89 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.5 p -96.44 -44.32 7.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.1 ttm 62.98 37.92 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -81.77 -49.88 9.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.48 -124.77 2.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -97.87 -179.37 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.947 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.82 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -115.54 122.56 46.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.86 -43.58 83.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 pp -132.6 165.58 24.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 mp -138.17 134.07 44.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.41 HD12 ' HE1' ' A' ' 36' ' ' PHE . 38.9 mt -89.68 157.09 47.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.558 0.694 . . . . 0.0 110.947 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 1.69 4.16 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.705 2.27 . . . . 0.0 112.34 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.2 p -116.24 27.28 9.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 60.74 52.75 4.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.061 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 36.0 m170 -143.94 111.1 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.82 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 60.7 p -109.67 168.28 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.655 ' O ' HD11 ' A' ' 41' ' ' ILE . 2.7 m-85 -150.01 134.11 17.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.8 p -81.91 165.29 20.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -54.39 -46.4 73.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -50.82 -52.81 37.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 92.2 m -68.32 -59.88 2.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.655 HD11 ' O ' ' A' ' 36' ' ' PHE . 60.6 mt -41.51 -44.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -64.64 -46.93 80.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.6 tttp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.1 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.614 0.721 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -46.92 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.2 mt -56.04 -55.18 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.5 m -59.89 -35.62 75.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.83 0.348 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HA ' ' N ' ' A' ' 26' ' ' ALA . 17.0 pt-20 -147.98 157.99 43.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.7 t -50.37 159.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.7 m -108.07 -24.31 11.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 88.5 mt -79.45 -66.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 p -80.47 -29.0 37.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.5 mtp 48.41 43.58 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -120.32 -59.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.33 -129.2 0.32 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.426 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 51.4 mtp180 -123.88 -175.18 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.853 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . . . -106.63 98.79 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -65.85 -45.2 83.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.58 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.4 pp -137.3 142.31 41.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.7 mt -112.4 146.52 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.606 HD12 ' HE1' ' A' ' 36' ' ' PHE . 38.5 mt -102.38 157.17 34.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 0.31 5.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.8 p -113.08 20.59 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.467 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 65.38 53.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 40.7 m170 -143.7 118.97 10.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.651 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 20.4 p -108.81 163.87 12.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.651 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.2 m-85 -151.83 127.87 10.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.6 p -77.27 160.86 28.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -52.69 -41.96 64.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -60.26 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' ILE . 93.0 m -58.47 -65.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.622 HD11 ' O ' ' A' ' 36' ' ' PHE . 25.5 mt -37.5 -49.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -66.91 -48.09 69.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.926 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.2 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.64 0.733 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -43.32 2.68 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.8 mm -59.5 -26.02 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 62.3 m -95.97 -40.49 9.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.409 ' C ' ' HD3' ' A' ' 55' ' ' ARG . 2.9 tmt_? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.77 0.319 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -159.91 138.87 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.1 t -45.84 162.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.1 t -102.23 -44.06 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.19 -68.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.191 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 23' ' ' ASP . 21.1 p -89.97 -19.81 24.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 21' ' ' CYS . 10.3 ptt? 34.93 32.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 21' ' ' CYS . 2.3 m-20 -108.8 40.0 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ARG . . . 158.85 150.91 5.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.502 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' GLY . 32.0 mtm-85 -37.25 155.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.622 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -92.55 140.69 29.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.077 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.423 ' C ' ' OD1' ' A' ' 27' ' ' ASP . 1.2 t0 -81.19 -32.64 33.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.472 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.5 pp -152.08 168.93 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.6 mt -129.56 138.77 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.583 HD12 ' HE1' ' A' ' 36' ' ' PHE . 59.2 mt -95.38 156.19 37.91 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.657 0.742 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -1.26 8.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.73 2.287 . . . . 0.0 112.384 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 5.6 p -108.2 16.74 22.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.457 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 68.71 48.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 39.2 m170 -141.51 124.12 15.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.627 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 74.8 p -107.96 160.54 15.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.9 m-85 -149.59 124.51 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.3 p -69.22 173.75 5.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -62.84 -42.08 99.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -53.9 -67.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 84.7 m -46.99 -60.96 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.426 HD11 ' O ' ' A' ' 36' ' ' PHE . 77.4 mt -47.73 -61.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' ILE . 21.2 t70 -36.8 -52.81 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 tptm . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.5 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.647 0.737 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -45.26 1.69 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 42.3 mm -52.19 -64.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 55' ' ' ARG . 72.1 m -48.09 -43.72 30.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 54' ' ' CYS . 14.6 ttp180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.578 ' HG3' ' HB3' ' A' ' 26' ' ' ALA . 4.7 pt-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.756 0.312 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -155.52 136.92 14.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -43.7 159.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.8 m -101.26 -44.19 5.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.53 -66.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' MET . 28.7 p -88.51 -28.2 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' CYS . 8.2 ptt? 37.75 35.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -83.53 -45.56 13.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.65 -126.66 3.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.432 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.58 178.72 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.854 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.595 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -109.07 136.54 48.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -86.39 -34.53 20.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.597 HD21 HD13 ' A' ' 41' ' ' ILE . 2.5 pp -144.3 156.18 44.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 mt -127.17 132.86 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.4 mt -94.23 158.02 36.61 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -0.3 6.74 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.244 . . . . 0.0 112.306 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.506 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 5.5 p -109.07 12.68 25.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 71.76 43.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -136.66 111.95 9.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.644 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 79.5 p -105.49 164.71 11.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.644 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.0 m-85 -150.08 130.96 14.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.5 p -79.71 167.85 20.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -58.93 -44.69 91.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -48.41 -63.29 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.1 m -56.37 -64.88 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.597 HD13 HD21 ' A' ' 28' ' ' LEU . 73.4 mt -41.3 -41.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -67.32 -55.97 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.2 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.636 0.731 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.81 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.5 mt -51.56 -63.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 57.3 m -47.09 -50.11 20.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.796 0.331 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -143.11 143.63 31.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.7 t -60.04 161.21 7.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -96.72 -43.63 7.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.2 mt -64.73 -71.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -79.76 -32.32 40.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.8 ptt? 38.75 32.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -116.65 34.64 4.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.94 -113.14 0.34 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.541 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -131.21 -179.29 5.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -124.29 144.64 49.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.17 -31.31 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.686 HD12 ' C ' ' A' ' 28' ' ' LEU . 3.4 pp -138.43 153.1 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.2 mt -125.64 142.74 41.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.595 HD12 ' HE1' ' A' ' 36' ' ' PHE . 43.4 mt -102.1 156.71 34.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 2.56 3.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.484 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 5.8 p -110.27 13.29 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 71.44 39.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -134.62 114.39 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.92 157.0 17.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.595 ' HE1' HD12 ' A' ' 30' ' ' LEU . 10.4 m-85 -140.85 127.23 19.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.0 p -77.32 153.25 34.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' LYS . 36.9 tp60 -44.19 -56.4 4.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 38' ' ' GLN . 36.2 mttt -38.11 -64.86 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 92.9 m -55.88 -58.27 8.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.587 HD11 ' O ' ' A' ' 36' ' ' PHE . 60.4 mt -42.0 -37.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.35 -55.12 9.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.632 0.73 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.465 ' HG2' ' CE2' ' A' ' 36' ' ' PHE . 54.3 Cg_endo -69.7 -10.68 29.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.254 . . . . 0.0 112.371 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.6 mm -95.32 -63.29 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 93.5 m -41.28 -30.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.798 0.332 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.439 ' CA ' ' HB2' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -174.66 142.17 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t -42.21 158.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.4 m -111.58 -36.23 5.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.7 -63.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.3 p -97.44 -12.35 22.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.8 mmt 42.61 52.89 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.63 -63.35 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.51 -39.9 0.1 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -112.67 163.85 14.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.852 0.358 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -131.87 117.42 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -69.2 -43.81 73.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.468 ' O ' HD12 ' A' ' 28' ' ' LEU . 2.8 pp -139.84 149.92 44.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.6 mp -123.1 135.84 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.4 mt -91.87 156.47 42.52 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 0.07 6.14 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.321 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.4 p -113.54 27.07 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.487 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 59.85 54.85 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.487 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 32.3 m170 -147.5 117.4 7.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.619 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 58.1 p -111.37 165.49 11.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 35' ' ' SER . 2.6 m-85 -148.07 118.97 7.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -71.53 160.71 32.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.408 ' CD ' ' C ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -49.55 -49.97 44.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -47.9 -58.83 3.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 62.8 m -55.93 -65.69 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.547 HD11 ' O ' ' A' ' 36' ' ' PHE . 45.0 mt -40.44 -53.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -46.43 -46.22 18.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.612 0.72 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.421 ' O ' ' CB ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.76 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.366 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 42.3 mm -50.21 -63.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 82.3 m -50.76 -33.43 23.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 12.3 ttt85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 24' ' ' GLY . 17.3 mm-40 -141.4 157.53 45.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.5 t -74.28 162.03 29.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.5 m -98.32 -39.2 8.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.6 mt -68.97 -72.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' MET . 20.7 p -83.97 -24.38 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' CYS . 4.7 ptt? 34.84 45.78 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.84 -45.46 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.456 ' O ' ' CD ' ' A' ' 17' ' ' GLU . . . -102.86 -122.52 5.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -119.97 175.29 5.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -96.69 128.87 44.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -82.78 -39.81 21.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.461 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.6 pp -145.0 157.26 44.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.7 mm -119.46 147.19 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.784 HD12 ' HE1' ' A' ' 36' ' ' PHE . 32.2 mt -109.89 156.61 39.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.557 0.694 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 1.61 4.22 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.416 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.4 p -111.36 19.19 18.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.478 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 62.1 53.97 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.478 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 41.4 m170 -144.32 117.37 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.553 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 85.0 p -102.83 160.78 14.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.784 ' HE1' HD12 ' A' ' 30' ' ' LEU . 10.3 m-85 -151.92 121.29 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -67.71 169.89 8.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -60.91 -44.81 96.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -51.15 -69.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.6 m -44.77 -61.15 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.505 HD11 ' O ' ' A' ' 36' ' ' PHE . 68.6 mt -45.53 -56.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -46.41 -58.93 3.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.8 mttm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.707 0.765 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -50.9 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.346 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.2 mm -50.41 -32.35 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 91.1 m -87.06 -53.31 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.4 ttp-105 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 21.2 mp0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -143.84 136.8 27.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.4 t -48.91 155.29 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.3 m -106.17 -34.23 7.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.6 mt -62.26 -48.52 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.094 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.4 p -116.68 -37.71 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.8 ttm 66.33 45.31 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -68.51 -72.68 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.1 -76.27 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HD3' ' C ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -126.15 166.75 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.35 149.52 25.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.785 ' OD2' HD12 ' A' ' 41' ' ' ILE . 3.5 p30 -87.69 -29.26 21.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.722 HD21 HD13 ' A' ' 41' ' ' ILE . 3.9 pp -152.67 170.52 20.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.1 mt -137.99 130.6 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.8 mt -83.6 156.56 65.14 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.619 0.723 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 2.97 3.06 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.629 2.22 . . . . 0.0 112.38 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 p -110.18 19.14 19.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 66.14 54.59 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 31.1 m170 -143.48 118.1 9.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.496 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 11.8 p -102.92 156.98 17.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.71 ' HB2' HD11 ' A' ' 41' ' ' ILE . 6.7 m-85 -151.59 138.85 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.404 ' C ' ' OD2' ' A' ' 27' ' ' ASP . 23.9 p -94.12 154.63 17.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.459 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 13.8 mm-40 -46.07 -49.24 16.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -45.29 -46.19 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.5 m -77.78 -68.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.785 HD12 ' OD2' ' A' ' 27' ' ' ASP . 78.5 mt -40.53 -30.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -77.82 -44.79 26.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.8 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.615 0.721 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -49.96 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.3 mt -57.31 -62.27 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 59.1 m -47.24 -41.5 18.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.851 0.358 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -174.99 136.8 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.8 t -47.16 160.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 m -113.35 -31.58 6.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.645 HD11 ' CE2' ' A' ' 36' ' ' PHE . 84.6 mt -66.9 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 22' ' ' MET . 17.1 p -101.26 -3.68 28.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 21' ' ' CYS . 2.9 mmt 35.57 53.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -72.46 -52.31 16.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.26 -38.0 0.52 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -102.7 147.4 26.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.81 124.41 39.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -76.46 -38.73 54.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.617 HD21 HD12 ' A' ' 41' ' ' ILE . 3.2 pp -149.93 155.16 39.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.1 mp -123.75 140.24 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.0 mt -99.33 157.08 34.66 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.605 0.717 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 1.11 4.72 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.64 2.227 . . . . 0.0 112.368 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.2 p -114.38 20.68 15.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 65.33 54.08 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -143.32 108.76 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.6 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 59.4 p -104.0 164.72 11.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.645 ' CE2' HD11 ' A' ' 20' ' ' ILE . 4.5 m-85 -146.3 116.9 7.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 38' ' ' GLN . 29.7 p -71.92 148.71 45.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -33.2 -50.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -53.24 -51.76 61.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 37' ' ' CYS . 56.7 m -64.1 -41.08 97.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.617 HD12 HD21 ' A' ' 28' ' ' LEU . 45.9 mm -47.21 -50.79 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.114 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 43' ' ' LYS . 29.1 t70 -56.37 -58.71 6.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' ASP . 5.7 tppt? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.607 0.718 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -39.22 6.77 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.2 mm -66.15 -66.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 92.9 m -41.2 -46.23 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.794 0.33 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.481 ' C ' ' HB2' ' A' ' 26' ' ' ALA . 1.9 pm0 -174.14 137.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.7 t -52.6 162.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.2 t -109.13 -34.7 6.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 90.0 mt -68.78 -69.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.2 p -85.14 -43.44 13.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 25.9 mtp 65.33 42.25 3.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.426 ' CG ' ' N ' ' A' ' 24' ' ' GLY . 5.1 p-10 -78.32 -52.4 8.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.426 ' N ' ' CG ' ' A' ' 23' ' ' ASP . . . -140.15 -136.01 3.29 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.63 167.49 20.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.481 ' HB2' ' C ' ' A' ' 17' ' ' GLU . . . -104.46 138.15 41.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.48 -33.06 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.452 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.6 pp -154.17 166.48 32.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 mt -131.87 137.22 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.8 mt -94.24 156.05 39.27 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.66 0.743 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.45 3.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.4 p -116.17 24.82 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 61.68 48.53 5.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -138.76 108.23 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.484 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -107.71 161.34 14.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.811 -179.714 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.672 ' O ' HD11 ' A' ' 41' ' ' ILE . 8.9 m-85 -149.59 137.09 20.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.5 p -77.51 165.47 24.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -52.82 -42.9 65.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -55.97 -69.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 97.9 m -46.88 -57.01 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.672 HD11 ' O ' ' A' ' 36' ' ' PHE . 56.3 mt -50.09 -53.09 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -42.91 -41.55 3.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.675 0.75 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -48.74 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.675 2.25 . . . . 0.0 112.38 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.1 mt -49.58 -50.51 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.2 m -69.5 -44.4 71.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.795 0.331 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -159.36 151.91 21.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.0 t -44.53 162.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.0 m -112.46 -34.88 5.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.12 -49.02 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.2 p -114.52 -26.64 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.1 mtp 54.19 45.78 26.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -55.21 -52.93 61.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.53 -42.18 0.11 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.436 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -118.03 172.35 7.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.65 ' HB1' ' HB3' ' A' ' 35' ' ' SER . . . -137.19 112.17 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.89 -47.6 77.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 pp -134.9 166.48 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.6 mt -136.93 146.01 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.447 HD12 ' HE1' ' A' ' 36' ' ' PHE . 49.5 mt -102.42 156.31 35.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.645 0.736 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 2.74 3.28 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.668 2.246 . . . . 0.0 112.355 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.1 p -117.89 27.2 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.446 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 60.12 53.24 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 39.8 m170 -143.67 112.12 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.65 ' HB3' ' HB1' ' A' ' 26' ' ' ALA . 12.3 m -110.27 158.56 18.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.632 ' O ' HD11 ' A' ' 41' ' ' ILE . 2.1 m-85 -142.65 114.85 8.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 p -67.42 155.66 38.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -45.66 -52.92 10.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -43.7 -59.78 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 41' ' ' ILE . 73.0 m -58.69 -62.24 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.632 HD11 ' O ' ' A' ' 36' ' ' PHE . 87.1 mt -37.91 -50.83 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -57.54 -55.9 28.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.8 mttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 37.5 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.643 0.735 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -50.92 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.7 mm -48.57 -51.6 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 75.5 m -66.89 -30.87 71.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.438 ' HA ' ' N ' ' A' ' 26' ' ' ALA . 12.5 mp0 -146.29 139.93 26.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.5 t -42.72 159.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.2 m -102.61 -42.01 6.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 93.8 mt -59.52 -68.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.7 p -88.94 -33.38 17.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.3 ptt? 40.73 39.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.07 -43.59 9.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.95 -103.33 2.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -132.97 -176.34 4.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.327 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -103.79 128.64 51.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.96 -39.23 26.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.412 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.3 pp -146.58 167.31 24.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.2 mm -127.22 144.65 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.7 HD12 ' HE1' ' A' ' 36' ' ' PHE . 18.8 mt -105.55 158.68 31.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -0.09 6.36 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.38 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 5.6 p -108.91 16.76 22.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 66.89 44.58 2.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -134.68 130.58 36.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.494 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 20.4 p -113.74 158.36 21.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.7 ' HE1' HD12 ' A' ' 30' ' ' LEU . 28.6 m-85 -151.2 131.64 13.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -81.71 163.09 22.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -49.82 -50.6 44.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -48.44 -61.6 1.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.8 m -53.55 -63.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.1 mt -43.33 -40.89 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.62 -38.31 84.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 37.6 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.689 0.756 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -42.3 3.53 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.4 mm -50.74 -49.87 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 57.3 m -56.81 -36.57 70.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.78 0.324 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -174.7 147.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.0 t -44.61 165.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.4 t -112.93 -32.08 6.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 93.4 mt -72.13 -53.58 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -95.24 -37.27 11.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 11.9 mtm 58.98 36.05 24.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -82.89 -71.66 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.82 -162.58 12.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -57.29 -178.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.19 139.95 47.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.441 ' CG ' ' HG2' ' A' ' 38' ' ' GLN . 1.4 m-20 -76.04 -35.82 59.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.476 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.5 pp -144.13 157.1 44.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.8 mt -131.36 130.14 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.723 HD13 ' HB2' ' A' ' 51' ' ' CYS . 60.8 mt -88.79 156.07 50.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.594 0.712 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 3.08 2.96 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.722 2.282 . . . . 0.0 112.348 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.7 p -108.59 18.61 20.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 65.9 39.93 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.455 ' NE2' HG21 ' A' ' 53' ' ' ILE . 27.6 m170 -134.95 122.28 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 56.0 p -119.31 161.25 20.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.699 ' O ' HD11 ' A' ' 41' ' ' ILE . 6.3 m-85 -150.39 132.38 15.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.8 p -77.55 150.36 34.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.441 ' HG2' ' CG ' ' A' ' 27' ' ' ASP . 4.7 mm-40 -42.41 -57.24 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -38.55 -59.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' ILE . 82.2 m -62.05 -63.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.699 HD11 ' O ' ' A' ' 36' ' ' PHE . 75.0 mt -36.01 -44.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -76.13 -43.11 44.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.723 ' HB2' HD13 ' A' ' 30' ' ' LEU . 20.7 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.559 0.695 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.438 ' HG2' ' CE2' ' A' ' 36' ' ' PHE . 53.0 Cg_endo -69.8 -50.51 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.455 HG21 ' NE2' ' A' ' 34' ' ' HIS . 8.6 mm -50.19 -57.43 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 57.3 m -54.0 -35.62 62.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.743 ' HG2' HD11 ' A' ' 29' ' ' ILE . 45.1 mp0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.861 0.362 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' C ' ' HB2' ' A' ' 26' ' ' ALA . 20.8 pt-20 -163.09 155.87 18.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.4 t -59.04 162.78 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 m -103.94 -44.36 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.62 -67.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.0 p -85.39 -27.61 25.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.8 ptt? 39.56 33.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -111.89 45.13 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.44 -141.21 6.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -96.22 -175.0 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.627 ' HB1' ' HB3' ' A' ' 35' ' ' SER . . . -121.6 125.43 46.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -75.21 -41.85 56.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.417 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.5 pp -139.99 155.25 47.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.743 HD11 ' HG2' ' A' ' 16' ' ' GLU . 46.7 mt -125.27 128.32 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.1 mt -89.01 157.22 48.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.11 3.8 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.745 2.297 . . . . 0.0 112.304 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.0 p -113.16 22.71 14.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 62.51 46.44 5.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.596 ' NE2' HG21 ' A' ' 53' ' ' ILE . 29.7 m170 -138.24 106.96 5.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.627 ' HB3' ' HB1' ' A' ' 26' ' ' ALA . 6.9 m -102.69 161.06 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.1 m-85 -145.64 136.87 24.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -84.04 163.67 19.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -53.49 49.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -41.71 -66.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.1 m -52.52 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.2 mt -40.59 -35.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -72.07 -51.95 19.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.8 tptt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.4 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.423 ' HG2' HD12 ' A' ' 53' ' ' ILE . 53.9 Cg_endo -69.72 -42.94 3.0 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.596 HG21 ' NE2' ' A' ' 34' ' ' HIS . 2.3 mp -53.37 -51.26 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 92.9 m -68.2 -37.53 81.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.806 0.336 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -173.59 147.59 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 t -51.91 163.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.4 m -105.14 -39.73 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.1 mt -67.85 -66.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -81.48 -35.57 30.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 49.0 mtp 52.2 42.58 30.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -109.03 -45.54 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.72 -159.1 15.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -79.38 -176.04 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.465 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -112.17 120.94 43.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.18 -41.84 63.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 pp -144.27 154.59 43.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.2 mt -125.01 138.65 53.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.0 mt -94.29 156.29 38.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.561 0.696 . . . . 0.0 110.943 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 3.0 3.0 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.2 p -114.37 20.16 15.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.547 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 66.16 54.94 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 36.9 m170 -146.18 117.97 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.655 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 59.8 p -113.33 160.51 18.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.735 ' O ' HD11 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -146.88 119.74 8.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -67.97 167.71 13.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -54.86 -45.16 74.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -66.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 95.5 m -50.65 -60.87 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.735 HD11 ' O ' ' A' ' 36' ' ' PHE . 77.4 mt -44.84 -44.44 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.19 -45.38 77.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.0 tttt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.6 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.644 0.735 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.291 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.1 mm -49.77 -55.91 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 92.8 m -60.73 -37.68 82.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.65 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 16.7 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.794 0.33 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -157.41 128.83 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.3 t -54.33 160.17 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -100.79 -40.83 7.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 80.1 mt -66.01 -63.09 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.3 p -88.3 -40.04 13.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.2 ttm 50.81 45.2 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -104.39 -48.2 3.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.25 -116.93 4.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -123.8 159.3 29.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.799 0.333 . . . . 0.0 110.857 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.65 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . . . -92.23 130.9 37.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.93 -38.97 44.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.445 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.6 pp -133.95 159.12 41.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.0 mt -127.61 136.53 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.9 mt -95.17 156.09 38.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 0.0 110.936 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 1.08 4.74 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.649 2.232 . . . . 0.0 112.336 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.0 p -115.01 25.74 10.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.82 51.1 4.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.636 ' NE2' HG21 ' A' ' 53' ' ' ILE . 39.6 m170 -141.63 109.54 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.596 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -108.74 161.1 15.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.748 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 35' ' ' SER . 2.8 m-85 -146.9 139.62 25.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.9 p -83.95 166.54 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -58.55 -45.21 89.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.9 -62.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.5 m -58.97 -64.07 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.1 mt -40.88 -35.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -77.21 -52.08 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.612 0.72 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -49.2 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.636 HG21 ' NE2' ' A' ' 34' ' ' HIS . 25.6 mm -43.8 -67.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 89.7 m -48.03 -41.87 26.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.422 ' C ' ' HD3' ' A' ' 55' ' ' ARG . 2.0 tmt_? . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.577 ' CG ' ' HB3' ' A' ' 26' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.766 0.317 . . . . 0.0 110.92 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' C ' ' HB2' ' A' ' 26' ' ' ALA . 39.3 mt-10 -148.67 140.44 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.6 t -44.29 158.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.0 m -99.93 -42.73 6.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.16 -67.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 23' ' ' ASP . 27.2 p -89.26 -30.79 18.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.9 ptp 39.86 29.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' CYS . 29.2 m-20 -108.52 46.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.97 -108.75 0.3 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.19 160.37 40.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.589 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -101.33 130.77 47.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.69 -39.46 44.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.45 HD21 HD13 ' A' ' 41' ' ' ILE . 3.4 pp -142.45 166.68 24.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -131.24 128.03 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.2 mt -81.85 156.84 69.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.672 0.748 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 2.65 3.32 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.73 2.287 . . . . 0.0 112.366 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.2 p -114.55 21.27 14.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 66.14 46.78 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -139.2 113.85 9.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.622 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 53.8 p -104.77 164.19 11.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 35' ' ' SER . 5.7 m-85 -151.03 131.76 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -80.33 160.18 25.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -49.83 -42.07 46.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -53.9 -63.24 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.2 m -56.02 -57.78 10.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.45 HD13 HD21 ' A' ' 28' ' ' LEU . 84.1 mt -45.93 -49.09 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.81 -44.59 90.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.2 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.585 0.707 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -49.07 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.305 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.44 -35.32 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 68.0 m -81.69 -32.55 31.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.925 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.611 ' HG2' HD11 ' A' ' 29' ' ' ILE . 5.8 mt-10 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.785 0.326 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' HG3' ' C ' ' A' ' 16' ' ' GLU . 25.7 mt-10 -154.98 134.96 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.8 t -54.21 159.07 2.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.8 t -112.23 -23.39 10.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mt -77.38 -65.79 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.4 p -96.87 -25.64 15.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.4 mtt 56.26 46.88 20.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -56.48 -44.06 80.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.57 -30.83 0.36 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.533 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 mmm-85 -130.03 177.08 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.671 ' HB1' ' OG ' ' A' ' 35' ' ' SER . . . -138.25 145.05 40.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.404 ' CG ' ' HG2' ' A' ' 38' ' ' GLN . 16.1 t70 -91.01 -32.48 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 pp -155.88 149.43 24.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.611 HD11 ' HG2' ' A' ' 16' ' ' GLU . 80.6 mt -117.32 143.03 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.0 mt -94.67 156.23 38.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.573 0.701 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 2.56 3.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.456 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 6.9 p -115.97 20.1 14.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 69.07 49.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.415 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 45.8 m170 -140.78 112.43 7.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.671 ' OG ' ' HB1' ' A' ' 26' ' ' ALA . 3.0 t -107.1 162.98 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.715 ' O ' HD11 ' A' ' 41' ' ' ILE . 4.0 m-85 -148.22 120.53 8.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 p -70.83 161.91 30.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' HG2' ' CG ' ' A' ' 27' ' ' ASP . 5.2 mm-40 -49.07 -51.41 31.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -45.12 -64.32 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.2 m -52.71 -62.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.715 HD11 ' O ' ' A' ' 36' ' ' PHE . 52.1 mt -43.36 -39.48 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -68.85 -50.17 52.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 45.2 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.626 0.727 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -48.76 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.6 mt -52.19 -50.41 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 98.5 m -69.96 -39.81 75.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.698 ' HG2' HD11 ' A' ' 29' ' ' ILE . 9.1 mp0 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.502 ' C ' ' HB2' ' A' ' 26' ' ' ALA . 32.3 mt-10 -159.78 145.97 15.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.5 t -60.56 159.32 10.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.4 t -95.29 -45.5 7.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.4 -74.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -80.02 -33.43 39.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.7 ptp 40.02 36.41 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.08 -54.35 4.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.73 -114.79 3.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -117.29 173.79 6.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.502 ' HB2' ' C ' ' A' ' 17' ' ' GLU . . . -103.76 140.34 37.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -84.19 -36.95 22.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.5 pp -142.43 167.66 21.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.698 HD11 ' HG2' ' A' ' 16' ' ' GLU . 20.3 mt -133.84 135.8 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -92.83 158.38 37.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.32 2.83 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 4.8 p -110.66 14.34 22.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 71.14 31.92 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -124.55 111.23 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.644 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 1.2 m -103.72 162.87 12.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.644 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.3 m-85 -149.49 148.94 30.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -90.79 169.74 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -61.86 -44.92 95.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -49.36 -61.57 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 83.5 m -59.58 -64.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.0 mt -40.12 -44.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -46.5 -60.3 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 tttp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.639 0.733 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -13.15 34.22 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 2.236 . . . . 0.0 112.359 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.6 mm -86.45 -59.97 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 73.6 m -62.16 -27.02 68.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.411 ' C ' ' HD3' ' A' ' 55' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -100.32 42.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.906 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 p -141.8 164.51 30.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.31 133.8 3.29 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 p -81.92 -53.46 6.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -102.5 147.05 27.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.71 55.76 0.11 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.452 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -123.66 170.31 10.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.3 t -52.2 134.4 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -123.74 115.74 21.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -53.22 147.21 10.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.59 30.25 5.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.8 m -45.39 -51.55 11.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -50.22 149.22 3.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -128.62 -46.25 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -136.66 162.78 32.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -164.99 148.97 8.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.6 t -41.84 156.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.3 m -101.66 -34.11 9.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 94.3 mt -67.91 -69.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 p -86.03 -40.99 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.0 ttp 62.48 51.75 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.31 -62.47 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.91 -41.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -128.2 164.2 23.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.904 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.16 134.33 55.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -71.48 -35.29 70.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.611 HD21 HD13 ' A' ' 41' ' ' ILE . 3.3 pp -151.93 170.87 18.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.3 mt -139.31 142.79 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.531 HD12 ' HE1' ' A' ' 36' ' ' PHE . 52.1 mt -100.3 156.18 35.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.914 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 2.92 3.12 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 4.1 p -111.67 17.52 19.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 68.66 44.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -137.22 118.22 14.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.571 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 8.9 p -112.25 157.81 20.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.69 ' O ' HD11 ' A' ' 41' ' ' ILE . 2.5 m-85 -150.43 130.46 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.0 p -79.88 166.56 21.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.425 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . 2.6 tp60 -55.86 -46.88 78.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -46.59 -64.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 43' ' ' LYS . 63.8 m -58.72 -64.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.69 HD11 ' O ' ' A' ' 36' ' ' PHE . 79.0 mt -37.54 -48.12 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -65.32 -41.96 93.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.6 tmtm? -53.76 -51.73 62.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.7 m95 -67.32 98.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 m -38.26 -58.98 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.7 83.62 4.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.599 ' H ' ' NE ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -89.44 27.34 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 50' ' ' ASN . 5.0 t-80 -54.52 146.96 15.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -40.14 -26.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' HIS . 77.2 m-20 -51.99 142.02 16.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.4 t -91.4 130.48 39.39 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.709 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -51.33 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.71 2.274 . . . . 0.0 112.342 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.564 ' HA ' HD12 ' A' ' 56' ' ' LEU . 30.7 mm -52.71 -60.87 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 97.1 m -54.97 -51.15 67.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -41.41 -43.24 2.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 53' ' ' ILE . 9.3 mt -53.43 -43.44 68.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 57.32 43.16 23.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.8 tmm? -77.4 106.59 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.576 ' O ' HG22 ' A' ' 59' ' ' THR . 20.4 m 54.48 40.1 31.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.02 -105.23 0.83 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.459 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -139.44 160.76 39.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -62.77 104.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -142.9 109.75 5.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.5 m -92.33 119.14 31.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 t -120.67 -57.33 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.906 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.06 148.09 7.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 177.29 5.71 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.1 p -128.65 108.15 10.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.8 p -67.14 -60.63 2.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.489 -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 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -136.51 149.65 48.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 110.886 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -150.01 157.96 43.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.07 -109.23 1.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -142.75 113.96 7.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.866 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 t -132.61 87.46 2.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.09 -153.1 0.42 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.461 ' HD3' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -168.93 142.32 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.7 t -126.37 134.47 66.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.059 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -125.15 102.29 7.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -133.69 173.59 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.3 mt -121.59 82.08 1.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.0 t -65.93 -40.51 91.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.28 142.0 48.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -112.58 -54.7 2.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 26.8 mp0 -93.7 149.33 21.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 17' ' ' GLU . 30.7 mp0 -146.66 133.92 20.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.3 t -41.05 161.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.7 m -108.86 -38.16 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 89.1 mt -62.68 -59.89 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.5 p -96.44 -44.32 7.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.1 ttm 62.98 37.92 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -81.77 -49.88 9.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.48 -124.77 2.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -97.87 -179.37 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.947 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.82 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -115.54 122.56 46.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.86 -43.58 83.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 pp -132.6 165.58 24.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 mp -138.17 134.07 44.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.41 HD12 ' HE1' ' A' ' 36' ' ' PHE . 38.9 mt -89.68 157.09 47.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.558 0.694 . . . . 0.0 110.947 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 1.69 4.16 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.705 2.27 . . . . 0.0 112.34 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.2 p -116.24 27.28 9.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 60.74 52.75 4.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.061 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 36.0 m170 -143.94 111.1 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.82 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 60.7 p -109.67 168.28 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.655 ' O ' HD11 ' A' ' 41' ' ' ILE . 2.7 m-85 -150.01 134.11 17.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.8 p -81.91 165.29 20.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -54.39 -46.4 73.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -50.82 -52.81 37.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 92.2 m -68.32 -59.88 2.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.655 HD11 ' O ' ' A' ' 36' ' ' PHE . 60.6 mt -41.51 -44.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -64.64 -46.93 80.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -54.92 -55.06 34.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.52 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 62.2 p-90 -102.09 114.54 28.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.3 m -133.25 155.63 49.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -174.05 166.88 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 -95.21 40.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -130.27 142.16 50.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -98.17 42.96 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -105.64 171.15 7.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.1 t -105.84 130.86 22.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.614 0.721 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -46.92 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.2 mt -56.04 -55.18 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.5 m -59.89 -35.62 75.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -69.24 -32.37 71.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.01 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -102.68 106.73 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.8 mtt -113.28 -179.05 3.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.1 m -44.73 112.84 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.17 -136.91 5.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.69 101.15 7.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.321 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -136.31 134.15 37.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -70.72 122.7 20.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.8 m -153.17 174.76 13.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 t -46.1 -57.1 4.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -115.09 86.32 0.41 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.09 11.74 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.0 p -71.0 168.68 16.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.7 m -66.33 179.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.534 -179.959 . . . . . . . . 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 1.452 -0.285 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.0 p -163.6 115.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.389 . . . . 0.0 110.857 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -142.82 126.62 17.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.95 118.05 1.8 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 p -124.02 120.97 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.819 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 t -103.25 154.93 18.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.88 104.68 0.21 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -158.68 163.0 37.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.4 m -58.3 148.16 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.87 75.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? -69.8 -6.81 34.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.6 mt -86.84 39.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.0 m -61.72 -47.35 85.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.48 152.5 43.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -111.04 40.01 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.44 175.21 10.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HA ' ' N ' ' A' ' 26' ' ' ALA . 17.0 pt-20 -147.98 157.99 43.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.7 t -50.37 159.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.7 m -108.07 -24.31 11.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 88.5 mt -79.45 -66.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 p -80.47 -29.0 37.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.5 mtp 48.41 43.58 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -120.32 -59.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.33 -129.2 0.32 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 51.4 mtp180 -123.88 -175.18 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.853 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . . . -106.63 98.79 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -65.85 -45.2 83.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.58 ' O ' HD12 ' A' ' 28' ' ' LEU . 4.4 pp -137.3 142.31 41.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.7 mt -112.4 146.52 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.606 HD12 ' HE1' ' A' ' 36' ' ' PHE . 38.5 mt -102.38 157.17 34.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 0.31 5.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.8 p -113.08 20.59 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.467 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 65.38 53.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 40.7 m170 -143.7 118.97 10.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.651 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 20.4 p -108.81 163.87 12.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.651 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.2 m-85 -151.83 127.87 10.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.6 p -77.27 160.86 28.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -52.69 -41.96 64.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -60.26 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' ILE . 93.0 m -58.47 -65.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.622 HD11 ' O ' ' A' ' 36' ' ' PHE . 25.5 mt -37.5 -49.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -66.91 -48.09 69.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -50.26 -47.54 55.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -102.69 107.24 18.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.6 m -120.24 40.91 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -93.23 -54.24 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 11.5 mmp_? -73.64 171.03 14.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -108.0 -66.31 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 41.3 mtt-85 -127.58 -42.19 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -38.64 154.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.2 t -91.2 127.1 52.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.64 0.733 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -43.32 2.68 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.8 mm -59.5 -26.02 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 62.3 m -95.97 -40.49 9.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.409 ' C ' ' HD3' ' A' ' 55' ' ' ARG . 2.9 tmt_? -50.05 -61.66 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 56' ' ' LEU . 2.2 pp -47.11 -35.44 7.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -69.65 87.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 32.8 tpp -102.21 141.65 34.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.8 p -93.6 156.34 16.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.61 -81.08 0.16 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.537 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.96 157.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -133.39 131.58 40.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 40.84 40.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.1 m -112.24 124.7 53.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.3 t -124.52 110.04 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -167.1 142.43 7.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -178.68 2.45 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.637 2.224 . . . . 0.0 112.355 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.2 p -166.85 117.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -75.02 172.4 12.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.457 -179.974 . . . . . . . . 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 -0.31 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -98.92 101.73 13.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.843 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 t -167.92 158.19 10.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.816 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.8 159.99 21.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -87.33 114.47 23.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.1 p -58.12 -49.78 75.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.509 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 178.52 -75.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 52.63 39.97 29.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.855 0.36 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 7' ' ' GLY . 90.0 t -119.01 139.27 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.424 ' N ' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -159.22 143.5 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -150.79 131.43 13.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.7 mt -51.98 108.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -49.97 -46.26 52.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.91 161.06 15.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -102.29 -42.83 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -39.5 158.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -159.91 138.87 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.1 t -45.84 162.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.1 t -102.23 -44.06 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.19 -68.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.191 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 23' ' ' ASP . 21.1 p -89.97 -19.81 24.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 21' ' ' CYS . 10.3 ptt? 34.93 32.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 21' ' ' CYS . 2.3 m-20 -108.8 40.0 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ARG . . . 158.85 150.91 5.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.502 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' GLY . 32.0 mtm-85 -37.25 155.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.622 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -92.55 140.69 29.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.077 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.423 ' C ' ' OD1' ' A' ' 27' ' ' ASP . 1.2 t0 -81.19 -32.64 33.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.472 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.5 pp -152.08 168.93 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.6 mt -129.56 138.77 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.583 HD12 ' HE1' ' A' ' 36' ' ' PHE . 59.2 mt -95.38 156.19 37.91 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.657 0.742 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -1.26 8.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.73 2.287 . . . . 0.0 112.384 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 5.6 p -108.2 16.74 22.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.457 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 68.71 48.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 39.2 m170 -141.51 124.12 15.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.627 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 74.8 p -107.96 160.54 15.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.9 m-85 -149.59 124.51 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.3 p -69.22 173.75 5.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -62.84 -42.08 99.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -53.9 -67.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 84.7 m -46.99 -60.96 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.426 HD11 ' O ' ' A' ' 36' ' ' PHE . 77.4 mt -47.73 -61.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' ILE . 21.2 t70 -36.8 -52.81 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -56.34 -51.33 68.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -80.51 81.78 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.1 p -97.01 96.77 8.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.62 131.7 21.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -78.43 58.81 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -130.81 162.38 29.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -113.97 45.68 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -117.85 154.67 31.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.5 t -105.51 134.41 19.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -45.26 1.69 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 42.3 mm -52.19 -64.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 55' ' ' ARG . 72.1 m -48.09 -43.72 30.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 54' ' ' CYS . 14.6 ttp180 -36.69 -46.85 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 57' ' ' GLN . 18.5 mt -51.14 -56.62 11.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' LEU . 29.0 tt0 -34.63 -53.08 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.4 ttm -108.28 105.79 15.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 59' ' ' THR . 4.0 t -68.1 114.76 6.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.18 -177.31 49.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.98 174.48 6.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -72.48 85.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -55.77 106.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -163.11 115.48 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.1 m -131.74 135.55 46.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -131.83 -94.59 0.62 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.541 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 86.81 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.2 m -75.86 122.45 24.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -48.74 125.45 10.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.486 -179.935 . . . . . . . . 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 -0.306 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -110.69 111.18 22.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.833 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -145.51 119.83 9.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.21 66.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 m -74.28 101.59 4.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 t -117.06 109.17 16.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.63 -47.02 0.78 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.1 mtt85 52.66 47.8 23.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 86.5 t -120.42 141.56 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -80.83 43.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -152.18 118.29 5.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.82 130.93 37.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 13' ' ' THR . 15.1 t -174.87 129.32 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.1 133.3 40.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -99.43 -41.68 7.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.578 ' HG3' ' HB3' ' A' ' 26' ' ' ALA . 4.7 pt-20 -174.32 163.87 3.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -155.52 136.92 14.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -43.7 159.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.8 m -101.26 -44.19 5.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.53 -66.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' MET . 28.7 p -88.51 -28.2 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' CYS . 8.2 ptt? 37.75 35.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -83.53 -45.56 13.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.65 -126.66 3.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.432 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.58 178.72 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.854 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.595 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -109.07 136.54 48.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -86.39 -34.53 20.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.597 HD21 HD13 ' A' ' 41' ' ' ILE . 2.5 pp -144.3 156.18 44.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 mt -127.17 132.86 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.4 mt -94.23 158.02 36.61 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -0.3 6.74 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.244 . . . . 0.0 112.306 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.506 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 5.5 p -109.07 12.68 25.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 71.76 43.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -136.66 111.95 9.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.644 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 79.5 p -105.49 164.71 11.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.644 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.0 m-85 -150.08 130.96 14.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.5 p -79.71 167.85 20.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -58.93 -44.69 91.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -48.41 -63.29 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.1 m -56.37 -64.88 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.597 HD13 HD21 ' A' ' 28' ' ' LEU . 73.4 mt -41.3 -41.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -67.32 -55.97 11.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.33 -64.04 0.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -61.94 129.87 42.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.9 m -80.6 51.2 1.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 15.0 p-10 -115.7 100.99 8.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.3 mtp-105 -118.59 44.37 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -128.31 139.93 52.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -47.85 -21.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -57.31 142.92 41.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.2 t -99.0 126.02 39.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.636 0.731 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.81 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.5 mt -51.56 -63.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 57.3 m -47.09 -50.11 20.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -52.34 -37.82 57.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.0 mt -69.85 -57.3 5.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -71.65 77.69 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 34.7 mmm -128.85 170.37 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.6 m -57.96 143.8 41.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 156.89 -84.95 0.13 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.83 115.3 21.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.319 . . . . 0.0 111.088 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -46.75 122.41 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -161.13 139.49 9.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' SER . 8.2 t -79.95 67.71 5.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' SER . 86.3 p -34.79 -43.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 169.28 152.83 8.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.533 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 149.36 66.68 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.685 2.257 . . . . 0.0 112.341 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.2 t -169.84 130.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.4 p -100.59 135.22 42.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.818 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.452 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.6 m -154.45 171.23 19.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -170.41 157.25 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.6 131.83 4.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 m -109.54 150.96 27.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -97.46 170.46 9.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.52 50.6 1.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -124.46 46.31 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.9 t -142.86 125.56 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -73.27 120.12 18.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -168.64 140.52 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.4 tp -110.27 91.8 3.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 p -132.64 89.91 2.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -85.8 138.48 32.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -84.3 35.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -103.89 146.43 28.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -143.11 143.63 31.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.7 t -60.04 161.21 7.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -96.72 -43.63 7.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.2 mt -64.73 -71.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -79.76 -32.32 40.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.8 ptt? 38.75 32.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -116.65 34.64 4.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.94 -113.14 0.34 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.541 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -131.21 -179.29 5.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -124.29 144.64 49.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.17 -31.31 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.686 HD12 ' C ' ' A' ' 28' ' ' LEU . 3.4 pp -138.43 153.1 48.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.2 mt -125.64 142.74 41.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.595 HD12 ' HE1' ' A' ' 36' ' ' PHE . 43.4 mt -102.1 156.71 34.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 2.56 3.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.484 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 5.8 p -110.27 13.29 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 71.44 39.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -134.62 114.39 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.92 157.0 17.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.595 ' HE1' HD12 ' A' ' 30' ' ' LEU . 10.4 m-85 -140.85 127.23 19.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.0 p -77.32 153.25 34.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' LYS . 36.9 tp60 -44.19 -56.4 4.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 38' ' ' GLN . 36.2 mttt -38.11 -64.86 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 92.9 m -55.88 -58.27 8.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.587 HD11 ' O ' ' A' ' 36' ' ' PHE . 60.4 mt -42.0 -37.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.35 -55.12 9.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -46.72 -53.42 11.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.474 ' CG ' ' O ' ' A' ' 44' ' ' TRP . 8.1 p-90 -99.43 122.89 43.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.3 p -144.45 130.02 19.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -149.97 173.35 13.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -94.13 25.15 3.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -103.97 142.21 34.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.415 ' CD ' ' O ' ' A' ' 49' ' ' ARG . 1.2 ppt_? -106.5 32.24 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -115.09 142.21 46.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 14.1 t -56.08 124.02 57.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.632 0.73 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.465 ' HG2' ' CE2' ' A' ' 36' ' ' PHE . 54.3 Cg_endo -69.7 -10.68 29.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.254 . . . . 0.0 112.371 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.462 HG22 ' HB2' ' A' ' 57' ' ' GLN . 8.6 mm -95.32 -63.29 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 93.5 m -41.28 -30.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -44.75 -52.25 8.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.566 HD23 ' H ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -104.1 -32.63 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.462 ' HB2' HG22 ' A' ' 53' ' ' ILE . 33.6 mt-30 -99.26 64.28 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mtp -50.27 158.96 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.6 m -119.54 121.63 39.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.05 47.65 3.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.56 38.48 30.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 111.084 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -96.87 -52.94 3.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -75.04 -61.28 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.9 t -118.57 145.97 44.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.2 m -152.41 156.65 39.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.1 164.4 18.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 102.34 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.9 p -50.92 118.1 2.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.4 m -78.68 -55.94 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.505 179.985 . . . . . . . . 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 -0.313 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 p -139.25 122.29 16.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 p -150.14 157.92 43.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.73 148.03 9.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 m -39.43 105.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -91.15 42.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.91 80.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.6 92.83 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 t -126.43 35.73 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -125.17 102.88 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.52 117.93 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mt -125.44 93.85 3.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.5 p -139.48 108.87 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 15' ' ' GLU . 13.3 t70 -47.84 159.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 14' ' ' ASP . 2.0 tt0 -33.71 -44.82 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -139.57 159.98 40.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' CA ' ' HB2' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -174.66 142.17 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t -42.21 158.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.4 m -111.58 -36.23 5.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.7 -63.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.3 p -97.44 -12.35 22.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.8 mmt 42.61 52.89 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.63 -63.35 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.51 -39.9 0.1 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -112.67 163.85 14.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.852 0.358 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -131.87 117.42 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -69.2 -43.81 73.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.468 ' O ' HD12 ' A' ' 28' ' ' LEU . 2.8 pp -139.84 149.92 44.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.6 mp -123.1 135.84 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.4 mt -91.87 156.47 42.52 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 0.07 6.14 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.321 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.4 p -113.54 27.07 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.487 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 59.85 54.85 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.487 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 32.3 m170 -147.5 117.4 7.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.619 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 58.1 p -111.37 165.49 11.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.619 ' CD1' ' C ' ' A' ' 35' ' ' SER . 2.6 m-85 -148.07 118.97 7.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -71.53 160.71 32.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.408 ' CD ' ' C ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -49.55 -49.97 44.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -47.9 -58.83 3.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 62.8 m -55.93 -65.69 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.547 HD11 ' O ' ' A' ' 36' ' ' PHE . 45.0 mt -40.44 -53.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -46.43 -46.22 18.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -64.81 -54.28 33.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -42.48 110.28 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.6 p -93.82 -44.25 8.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.11 116.77 6.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.429 ' CD ' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -98.71 130.35 45.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.423 ' N ' ' HD3' ' A' ' 47' ' ' ARG . 1.9 p-80 -160.54 116.63 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -38.53 -33.57 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.43 ' OD1' ' C ' ' A' ' 50' ' ' ASN . 0.8 OUTLIER -69.87 156.97 38.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.9 t -81.33 137.25 48.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.421 ' O ' ' CB ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.76 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.366 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 42.3 mm -50.21 -63.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 82.3 m -50.76 -33.43 23.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 12.3 ttt85 -41.21 -51.62 3.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.718 HD23 ' H ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -97.56 -40.97 8.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 40.3 48.09 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 47.8 ttp -71.59 130.86 42.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 59' ' ' THR . 9.1 t -55.31 116.73 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 178.58 -70.48 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.25 167.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -85.91 162.73 18.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -67.91 -64.15 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 m 48.01 44.4 18.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.0 m -95.49 175.32 6.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.12 89.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.8 Cg_endo -69.76 3.03 3.01 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.347 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 67' ' ' PRO . 77.8 p -34.92 136.77 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 m -80.96 120.42 24.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.43 180.0 . . . . . . . . 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 -0.325 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t -158.77 116.95 2.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.877 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -152.43 171.55 17.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.71 -104.58 0.94 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t 66.63 42.31 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -71.43 161.31 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.55 82.68 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -102.64 146.28 28.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 110.83 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.4 m -65.74 166.91 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -103.36 91.87 4.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -96.58 159.25 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -169.44 162.8 10.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 14' ' ' ASP . 7.8 t -86.25 -44.2 12.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.158 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.454 ' N ' HG23 ' A' ' 13' ' ' THR . 0.3 OUTLIER -47.39 140.7 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -95.2 -49.97 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -131.15 172.28 12.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 24' ' ' GLY . 17.3 mm-40 -141.4 157.53 45.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.5 t -74.28 162.03 29.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.5 m -98.32 -39.2 8.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.6 mt -68.97 -72.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' MET . 20.7 p -83.97 -24.38 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' CYS . 4.7 ptt? 34.84 45.78 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.84 -45.46 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.456 ' O ' ' CD ' ' A' ' 17' ' ' GLU . . . -102.86 -122.52 5.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -119.97 175.29 5.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -96.69 128.87 44.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -82.78 -39.81 21.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.461 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.6 pp -145.0 157.26 44.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.7 mm -119.46 147.19 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.784 HD12 ' HE1' ' A' ' 36' ' ' PHE . 32.2 mt -109.89 156.61 39.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.557 0.694 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 1.61 4.22 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.416 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.4 p -111.36 19.19 18.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.478 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 62.1 53.97 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.478 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 41.4 m170 -144.32 117.37 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.553 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 85.0 p -102.83 160.78 14.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.784 ' HE1' HD12 ' A' ' 30' ' ' LEU . 10.3 m-85 -151.92 121.29 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.3 p -67.71 169.89 8.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -60.91 -44.81 96.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -51.15 -69.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.6 m -44.77 -61.15 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.505 HD11 ' O ' ' A' ' 36' ' ' PHE . 68.6 mt -45.53 -56.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -46.41 -58.93 3.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -53.1 -46.77 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' SER . 65.8 m95 -68.48 106.07 2.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' TRP . 16.1 m -35.09 138.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.22 40.1 1.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -83.97 -33.78 24.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -110.15 161.82 15.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.19 20.41 13.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.0 176.9 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.5 t -100.82 129.6 27.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.707 0.765 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -50.9 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.346 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.2 mm -50.41 -32.35 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 91.1 m -87.06 -53.31 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.4 ttp-105 -42.1 -33.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' GLN . 83.0 mt -66.12 -53.36 38.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' LEU . 14.9 mm-40 -37.64 -40.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.7 mtp -60.68 114.73 3.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -75.13 -57.72 3.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.126 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.48 152.04 33.45 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -124.95 137.44 54.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 111.104 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -68.09 158.6 32.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.1 144.5 31.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.5 p -122.97 41.49 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.4 m -38.3 -44.41 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.4 77.69 1.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 0.96 4.89 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.727 2.284 . . . . 0.0 112.34 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 m -76.78 173.05 12.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.1 t 58.27 42.02 22.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.518 179.991 . . . . . . . . 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 -0.309 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 m -134.09 42.59 2.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -88.92 177.63 6.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.08 51.48 2.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.457 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 p -174.67 111.55 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -132.89 124.25 27.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.44 57.91 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.5 mtt85 -150.7 153.73 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -73.47 156.22 6.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 11' ' ' GLN . 11.5 mptt -78.58 93.05 4.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 10' ' ' LYS . 13.5 mm100 34.44 43.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.1 mt -131.92 77.4 1.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.5 p -119.36 86.49 2.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.03 128.78 38.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -113.13 30.69 6.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 21.2 mp0 -107.3 157.72 17.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -143.84 136.8 27.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.4 t -48.91 155.29 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.3 m -106.17 -34.23 7.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.6 mt -62.26 -48.52 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.094 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.4 p -116.68 -37.71 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.8 ttm 66.33 45.31 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -68.51 -72.68 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.1 -76.27 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HD3' ' C ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -126.15 166.75 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.35 149.52 25.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.785 ' OD2' HD12 ' A' ' 41' ' ' ILE . 3.5 p30 -87.69 -29.26 21.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.722 HD21 HD13 ' A' ' 41' ' ' ILE . 3.9 pp -152.67 170.52 20.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.1 mt -137.99 130.6 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.8 mt -83.6 156.56 65.14 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.619 0.723 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 2.97 3.06 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.629 2.22 . . . . 0.0 112.38 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 p -110.18 19.14 19.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 66.14 54.59 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 31.1 m170 -143.48 118.1 9.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.496 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 11.8 p -102.92 156.98 17.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.71 ' HB2' HD11 ' A' ' 41' ' ' ILE . 6.7 m-85 -151.59 138.85 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.404 ' C ' ' OD2' ' A' ' 27' ' ' ASP . 23.9 p -94.12 154.63 17.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.459 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 13.8 mm-40 -46.07 -49.24 16.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -45.29 -46.19 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.5 m -77.78 -68.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.785 HD12 ' OD2' ' A' ' 27' ' ' ASP . 78.5 mt -40.53 -30.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -77.82 -44.79 26.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -57.12 -57.29 13.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.411 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 59.0 p-90 -91.52 125.46 36.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.6 m -129.64 107.79 9.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.52 128.31 47.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -39.56 -44.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -90.95 162.47 14.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.43 ' CD ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -93.07 33.06 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -77.91 160.51 28.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.8 t -80.77 131.02 61.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.721 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -49.96 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.3 mt -57.31 -62.27 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 59.1 m -47.24 -41.5 18.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -51.39 -47.35 62.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 mt -66.47 -43.43 85.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -92.72 87.33 5.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.6 tpt -80.54 -47.19 14.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.1 t -39.79 157.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.05 -146.81 43.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -164.83 171.46 14.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.75 -58.89 3.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -39.69 154.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.7 m -48.7 124.72 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -69.5 138.16 53.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.08 157.86 12.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 112.29 3.05 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.5 p -50.61 -55.93 14.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 t 68.48 42.21 1.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.486 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.3 p -156.75 129.89 7.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 0.0 110.789 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 m -125.34 152.37 44.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.61 133.63 21.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -112.08 145.33 39.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -137.81 137.76 38.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.47 55.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -100.0 92.12 5.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.922 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 9' ' ' VAL . 31.0 m -74.78 124.43 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -136.43 124.78 23.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -119.83 124.66 46.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp 40.58 41.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 24' ' ' GLY . 4.6 m -83.13 44.57 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' GLU . 1.3 p-10 -111.06 137.54 48.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 14' ' ' ASP . 14.3 pt-20 33.44 34.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 14' ' ' ASP . 86.9 mt-10 -151.28 154.23 36.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -174.99 136.8 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.8 t -47.16 160.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 m -113.35 -31.58 6.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.645 HD11 ' CE2' ' A' ' 36' ' ' PHE . 84.6 mt -66.9 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 22' ' ' MET . 17.1 p -101.26 -3.68 28.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 21' ' ' CYS . 2.9 mmt 35.57 53.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -72.46 -52.31 16.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.426 ' O ' HG23 ' A' ' 13' ' ' THR . . . 158.26 -38.0 0.52 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -102.7 147.4 26.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.81 124.41 39.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -76.46 -38.73 54.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.617 HD21 HD12 ' A' ' 41' ' ' ILE . 3.2 pp -149.93 155.16 39.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.1 mp -123.75 140.24 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.0 mt -99.33 157.08 34.66 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.605 0.717 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 1.11 4.72 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.64 2.227 . . . . 0.0 112.368 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.2 p -114.38 20.68 15.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 65.33 54.08 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -143.32 108.76 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.6 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 59.4 p -104.0 164.72 11.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.645 ' CE2' HD11 ' A' ' 20' ' ' ILE . 4.5 m-85 -146.3 116.9 7.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 38' ' ' GLN . 29.7 p -71.92 148.71 45.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -33.2 -50.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -53.24 -51.76 61.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 37' ' ' CYS . 56.7 m -64.1 -41.08 97.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.617 HD12 HD21 ' A' ' 28' ' ' LEU . 45.9 mm -47.21 -50.79 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.114 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 43' ' ' LYS . 29.1 t70 -56.37 -58.71 6.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' ASP . 5.7 tppt? -35.01 -56.38 0.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CH2' ' HB2' ' A' ' 52' ' ' PRO . 97.8 m95 -70.57 89.51 0.72 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.948 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.6 t -71.78 -33.98 69.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -88.89 51.67 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' A' ' 48' ' ' HIS . 3.2 tmt_? -67.77 131.18 45.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.511 ' CD2' ' N ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -158.72 165.51 34.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.5 tpt85 -39.06 -51.57 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -48.66 157.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.0 t -104.94 133.91 19.91 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.607 0.718 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.485 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 53.8 Cg_endo -69.76 -39.22 6.77 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.2 mm -66.15 -66.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 92.9 m -41.2 -46.23 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -39.02 -40.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 57' ' ' GLN . 41.5 mt -78.19 -53.54 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 56' ' ' LEU . 5.7 mt-30 -34.38 104.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.475 ' HG2' ' N ' ' A' ' 59' ' ' THR . 57.1 ttm -44.48 161.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.475 ' N ' ' HG2' ' A' ' 58' ' ' MET . 1.7 m 69.91 45.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -139.88 -46.3 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.18 148.91 50.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.357 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -89.88 89.53 7.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -88.69 41.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.1 t 47.13 46.1 16.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.1 p -89.24 121.86 31.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.79 -97.19 0.11 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.8 Cg_endo -69.74 -21.68 33.23 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.326 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 67' ' ' PRO . 67.3 m -35.31 108.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.1 p -97.89 90.4 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.477 -179.956 . . . . . . . . 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 -0.287 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -132.9 159.8 38.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -97.49 149.7 21.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.76 42.67 59.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 m -150.3 163.9 37.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -99.06 -45.65 5.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.76 55.2 30.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -72.47 122.79 21.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 110.833 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.3 t -114.0 136.9 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -122.67 120.02 32.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -153.08 135.61 15.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.573 HD12 ' N ' ' A' ' 13' ' ' THR . 1.0 OUTLIER -126.39 164.19 21.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.573 ' N ' HD12 ' A' ' 12' ' ' LEU . 1.8 t -157.66 121.56 4.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.05 135.74 53.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -50.94 -53.46 32.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -86.34 151.02 23.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.481 ' C ' ' HB2' ' A' ' 26' ' ' ALA . 1.9 pm0 -174.14 137.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.7 t -52.6 162.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.2 t -109.13 -34.7 6.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 90.0 mt -68.78 -69.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.2 p -85.14 -43.44 13.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 25.9 mtp 65.33 42.25 3.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' CG ' ' N ' ' A' ' 24' ' ' GLY . 5.1 p-10 -78.32 -52.4 8.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.426 ' N ' ' CG ' ' A' ' 23' ' ' ASP . . . -140.15 -136.01 3.29 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.63 167.49 20.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.481 ' HB2' ' C ' ' A' ' 17' ' ' GLU . . . -104.46 138.15 41.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.48 -33.06 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.452 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.6 pp -154.17 166.48 32.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 mt -131.87 137.22 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.8 mt -94.24 156.05 39.27 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.66 0.743 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.45 3.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.4 p -116.17 24.82 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 61.68 48.53 5.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -138.76 108.23 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.484 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -107.71 161.34 14.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.811 -179.714 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.672 ' O ' HD11 ' A' ' 41' ' ' ILE . 8.9 m-85 -149.59 137.09 20.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.5 p -77.51 165.47 24.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -52.82 -42.9 65.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -55.97 -69.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 97.9 m -46.88 -57.01 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.672 HD11 ' O ' ' A' ' 36' ' ' PHE . 56.3 mt -50.09 -53.09 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -42.91 -41.55 3.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -85.23 -67.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -47.5 -60.98 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.444 ' HB2' HG23 ' A' ' 41' ' ' ILE . 5.6 m -80.32 59.74 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -94.63 -44.95 7.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -105.88 -53.72 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.544 ' H ' ' CD2' ' A' ' 48' ' ' HIS . 0.1 OUTLIER -107.55 175.52 5.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.1 mtp85 -130.09 40.17 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -98.13 155.89 16.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.1 t -75.4 118.06 67.92 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.675 0.75 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -48.74 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.675 2.25 . . . . 0.0 112.38 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.1 mt -49.58 -50.51 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.2 m -69.5 -44.4 71.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.0 -35.69 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 57' ' ' GLN . 49.5 mt -53.62 -41.79 67.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 56' ' ' LEU . 13.3 pt20 -34.6 110.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.2 152.11 17.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.9 t -115.93 -9.72 11.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -178.86 125.66 1.0 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.52 122.27 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.08 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -132.36 161.08 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -133.8 145.56 49.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' SER . 19.7 t -103.73 149.48 24.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' SER . 1.4 t -37.59 155.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.833 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -54.02 179.92 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 135.04 29.48 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.647 2.232 . . . . 0.0 112.327 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.1 t -50.62 156.71 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.3 p -120.93 152.65 38.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 119.136 -0.814 . . . . 0.0 112.477 -179.988 . . . . . . . . 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 -0.31 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 t -148.41 136.64 21.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 t -152.96 129.13 10.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.74 -105.56 1.15 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' SER . 36.5 m -69.3 -51.58 35.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' SER . 40.5 m 35.94 37.92 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.26 87.9 0.48 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.73 97.56 11.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.5 m -48.22 148.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.74 74.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.924 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -139.28 136.67 35.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.5 mt -127.04 107.45 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.8 p -59.64 -45.77 91.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.32 150.77 19.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.41 -43.32 88.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -102.48 176.77 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -159.36 151.91 21.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.0 t -44.53 162.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.0 m -112.46 -34.88 5.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.12 -49.02 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.2 p -114.52 -26.64 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.1 mtp 54.19 45.78 26.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -55.21 -52.93 61.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.53 -42.18 0.11 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.436 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -118.03 172.35 7.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.65 ' HB1' ' HB3' ' A' ' 35' ' ' SER . . . -137.19 112.17 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.89 -47.6 77.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 pp -134.9 166.48 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.6 mt -136.93 146.01 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.447 HD12 ' HE1' ' A' ' 36' ' ' PHE . 49.5 mt -102.42 156.31 35.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.645 0.736 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 2.74 3.28 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.668 2.246 . . . . 0.0 112.355 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.1 p -117.89 27.2 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.446 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 60.12 53.24 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 39.8 m170 -143.67 112.12 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.65 ' HB3' ' HB1' ' A' ' 26' ' ' ALA . 12.3 m -110.27 158.56 18.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.632 ' O ' HD11 ' A' ' 41' ' ' ILE . 2.1 m-85 -142.65 114.85 8.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 p -67.42 155.66 38.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -45.66 -52.92 10.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -43.7 -59.78 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 41' ' ' ILE . 73.0 m -58.69 -62.24 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.632 HD11 ' O ' ' A' ' 36' ' ' PHE . 87.1 mt -37.91 -50.83 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -57.54 -55.9 28.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -52.48 -52.49 54.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -88.78 42.02 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 t -38.21 -49.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.815 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -63.98 98.72 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -150.65 115.99 5.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -72.32 168.06 19.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.74 -37.94 14.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -66.99 165.44 15.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 37.5 t -84.26 134.9 42.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.643 0.735 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.449 ' O ' HD23 ' A' ' 56' ' ' LEU . 53.9 Cg_endo -69.7 -50.92 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.7 mm -48.57 -51.6 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 75.5 m -66.89 -30.87 71.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -43.05 -60.97 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.78 HD23 ' H ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -69.78 -27.31 64.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -94.39 77.02 3.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -94.22 23.94 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.0 t -75.52 137.76 41.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 116.92 -68.95 0.29 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.431 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 60.05 43.3 14.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.361 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -49.89 -58.01 6.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -82.33 119.85 24.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.8 t -141.09 125.72 17.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.7 p -123.23 156.82 34.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.87 122.06 0.8 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 152.35 69.03 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.8 m -160.84 144.61 13.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 t 46.09 42.37 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.523 -179.97 . . . . . . . . 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 -0.348 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -84.43 175.36 9.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.913 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 p -134.29 129.53 35.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.23 129.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.455 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -129.95 143.8 50.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.81 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -134.86 140.57 45.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.93 66.99 0.31 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -87.1 133.7 33.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.5 t -88.72 136.77 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -56.34 116.12 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -103.47 42.58 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 mt -65.17 111.88 3.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.4 p -109.67 -48.68 3.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -104.24 128.14 51.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -83.68 -54.98 4.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -119.7 176.04 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' HA ' ' N ' ' A' ' 26' ' ' ALA . 12.5 mp0 -146.29 139.93 26.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.5 t -42.72 159.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.2 m -102.61 -42.01 6.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 93.8 mt -59.52 -68.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.7 p -88.94 -33.38 17.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.3 ptt? 40.73 39.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.07 -43.59 9.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.95 -103.33 2.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -132.97 -176.34 4.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.327 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -103.79 128.64 51.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.96 -39.23 26.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.412 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.3 pp -146.58 167.31 24.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.2 mm -127.22 144.65 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.7 HD12 ' HE1' ' A' ' 36' ' ' PHE . 18.8 mt -105.55 158.68 31.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -0.09 6.36 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.38 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 5.6 p -108.91 16.76 22.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 66.89 44.58 2.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -134.68 130.58 36.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.494 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 20.4 p -113.74 158.36 21.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.7 ' HE1' HD12 ' A' ' 30' ' ' LEU . 28.6 m-85 -151.2 131.64 13.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -81.71 163.09 22.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -49.82 -50.6 44.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -48.44 -61.6 1.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.8 m -53.55 -63.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.1 mt -43.33 -40.89 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.62 -38.31 84.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -72.67 -67.53 0.55 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.492 ' CZ3' ' HD3' ' A' ' 52' ' ' PRO . 7.6 p-90 -76.8 174.77 10.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.476 ' N ' ' CE3' ' A' ' 44' ' ' TRP . 4.7 t 72.39 43.86 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -104.77 -38.94 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -104.21 -42.16 5.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -116.06 155.77 27.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -116.81 41.01 2.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -120.91 147.62 45.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 37.6 t -55.35 115.12 8.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.689 0.756 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.492 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 53.7 Cg_endo -69.75 -42.3 3.53 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.4 mm -50.74 -49.87 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 57.3 m -56.81 -36.57 70.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -59.83 -59.52 5.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.701 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -61.47 -34.18 75.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -57.93 105.81 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 59' ' ' THR . 5.2 mmm -86.21 100.79 12.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 58' ' ' MET . 26.0 p 36.11 38.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.48 -114.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.19 117.45 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -133.49 98.43 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -58.23 139.72 54.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 57.7 m -91.81 145.92 24.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.0 t -55.6 -43.67 76.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.408 ' HA3' ' HD2' ' A' ' 67' ' ' PRO . . . 101.55 -147.45 17.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.408 ' HD2' ' HA3' ' A' ' 66' ' ' GLY . 53.5 Cg_endo -69.79 100.97 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.638 2.226 . . . . 0.0 112.352 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 m -84.8 158.82 20.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.4 p -56.57 -55.39 34.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.497 179.997 . . . . . . . . 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 1.452 -0.293 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -95.99 174.51 6.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.379 . . . . 0.0 110.845 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -94.01 102.51 14.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.74 -166.79 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -130.67 153.82 48.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -57.29 155.63 8.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.91 170.2 33.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.519 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.21 41.32 20.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.377 . . . . 0.0 110.898 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.2 t -40.72 133.76 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -111.07 55.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -127.24 -8.91 5.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.57 105.97 5.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.2 t -170.11 129.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -102.05 154.04 19.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -113.24 -49.68 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -106.53 177.11 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -174.7 147.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.0 t -44.61 165.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.4 t -112.93 -32.08 6.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 93.4 mt -72.13 -53.58 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -95.24 -37.27 11.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 11.9 mtm 58.98 36.05 24.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -82.89 -71.66 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.82 -162.58 12.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -57.29 -178.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.19 139.95 47.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' CG ' ' HG2' ' A' ' 38' ' ' GLN . 1.4 m-20 -76.04 -35.82 59.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.476 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.5 pp -144.13 157.1 44.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.8 mt -131.36 130.14 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.723 HD13 ' HB2' ' A' ' 51' ' ' CYS . 60.8 mt -88.79 156.07 50.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.594 0.712 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 3.08 2.96 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.722 2.282 . . . . 0.0 112.348 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.7 p -108.59 18.61 20.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 65.9 39.93 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.455 ' NE2' HG21 ' A' ' 53' ' ' ILE . 27.6 m170 -134.95 122.28 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.578 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 56.0 p -119.31 161.25 20.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.699 ' O ' HD11 ' A' ' 41' ' ' ILE . 6.3 m-85 -150.39 132.38 15.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.8 p -77.55 150.36 34.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.441 ' HG2' ' CG ' ' A' ' 27' ' ' ASP . 4.7 mm-40 -42.41 -57.24 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -38.55 -59.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' ILE . 82.2 m -62.05 -63.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.699 HD11 ' O ' ' A' ' 36' ' ' PHE . 75.0 mt -36.01 -44.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -76.13 -43.11 44.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -58.62 -61.26 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -63.11 103.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.0 t -91.8 80.65 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.13 169.42 13.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -116.13 34.35 5.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.429 ' CG ' ' ND2' ' A' ' 50' ' ' ASN . 2.6 p80 -169.5 110.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.68 -31.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.512 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -40.05 142.73 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.723 ' HB2' HD13 ' A' ' 30' ' ' LEU . 20.7 t -56.0 132.72 74.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.438 ' HG2' ' CE2' ' A' ' 36' ' ' PHE . 53.0 Cg_endo -69.8 -50.51 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.455 HG21 ' NE2' ' A' ' 34' ' ' HIS . 8.6 mm -50.19 -57.43 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.439 ' HA ' ' CB ' ' A' ' 57' ' ' GLN . 57.3 m -54.0 -35.62 62.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -44.21 -37.8 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 58' ' ' MET . 2.1 pp -105.11 -30.97 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 56' ' ' LEU . 14.6 tm0? -33.93 93.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 56' ' ' LEU . 12.3 mmt 35.88 49.12 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.2 35.51 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.11 86.1 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.445 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.85 92.26 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -115.64 91.85 3.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -74.28 148.18 41.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.9 m -160.51 162.81 33.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.8 p -105.71 -56.29 2.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.78 -64.45 0.37 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.88 3.12 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.8 p -53.79 137.96 36.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.789 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.0 t -68.12 131.53 45.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.506 -179.914 . . . . . . . . 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 1.452 -0.255 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -99.28 121.67 41.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.896 0.379 . . . . 0.0 110.869 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 4' ' ' GLY . 33.9 t -63.37 -47.49 81.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.19 42.23 0.37 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.406 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -93.35 85.55 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 0.0 110.874 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -130.57 167.39 18.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.83 124.33 1.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -170.43 105.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.362 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 9' ' ' VAL . 33.3 m -68.71 116.88 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -117.74 40.37 3.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -118.71 147.58 43.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mp -96.6 125.2 40.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.2 p -85.33 86.94 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -134.71 159.64 40.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -78.57 -40.71 33.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.743 ' HG2' HD11 ' A' ' 29' ' ' ILE . 45.1 mp0 -48.29 156.84 0.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' C ' ' HB2' ' A' ' 26' ' ' ALA . 20.8 pt-20 -163.09 155.87 18.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.4 t -59.04 162.78 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 m -103.94 -44.36 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.62 -67.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.0 p -85.39 -27.61 25.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.8 ptt? 39.56 33.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -111.89 45.13 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.44 -141.21 6.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -96.22 -175.0 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.627 ' HB1' ' HB3' ' A' ' 35' ' ' SER . . . -121.6 125.43 46.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -75.21 -41.85 56.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.417 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.5 pp -139.99 155.25 47.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.743 HD11 ' HG2' ' A' ' 16' ' ' GLU . 46.7 mt -125.27 128.32 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.1 mt -89.01 157.22 48.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.11 3.8 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.745 2.297 . . . . 0.0 112.304 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.0 p -113.16 22.71 14.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 62.51 46.44 5.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.596 ' NE2' HG21 ' A' ' 53' ' ' ILE . 29.7 m170 -138.24 106.96 5.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.627 ' HB3' ' HB1' ' A' ' 26' ' ' ALA . 6.9 m -102.69 161.06 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.1 m-85 -145.64 136.87 24.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -84.04 163.67 19.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -53.49 49.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -41.71 -66.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.1 m -52.52 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.2 mt -40.59 -35.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -72.07 -51.95 19.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -44.32 -51.43 8.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -65.88 126.67 29.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.8 m -61.02 162.67 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -41.16 103.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -122.71 146.46 47.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -50.35 178.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.48 ' HD2' ' N ' ' A' ' 49' ' ' ARG . 9.4 mpt_? -84.27 46.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -103.76 172.41 6.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.4 t -112.24 124.05 32.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.423 ' HG2' HD12 ' A' ' 53' ' ' ILE . 53.9 Cg_endo -69.72 -42.94 3.0 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.596 HG21 ' NE2' ' A' ' 34' ' ' HIS . 2.3 mp -53.37 -51.26 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 92.9 m -68.2 -37.53 81.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -49.22 -38.26 25.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.8 mt -52.53 -53.31 47.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -81.81 76.14 8.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.0 ttt -74.98 144.08 43.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 45.7 p -58.24 166.81 1.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.29 168.06 34.06 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -173.13 138.12 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -72.71 146.72 46.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -63.74 166.8 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 t -63.84 106.11 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.9 m -113.85 -52.23 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -107.67 83.49 0.34 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -11.2 30.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.248 . . . . 0.0 112.332 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.9 t -153.74 136.28 15.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.813 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.7 m 43.07 42.14 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.157 -0.801 . . . . 0.0 112.506 -179.96 . . . . . . . . 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 . . . . . 0.447 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 1' ' ' GLY . 61.8 p -34.86 139.05 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -132.94 141.89 48.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.1 -176.49 2.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p -172.93 175.0 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.389 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -49.46 144.85 5.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.11 131.02 3.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.95 148.46 23.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.828 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.7 m -58.03 166.94 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.173 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 3.0 mppt? -78.61 141.14 38.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -112.28 41.0 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.957 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.0 mt -133.13 149.45 52.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.9 t -174.14 130.3 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -90.08 157.51 17.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -113.54 -30.85 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -104.26 170.51 7.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -173.59 147.59 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 t -51.91 163.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.4 m -105.14 -39.73 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.1 mt -67.85 -66.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -81.48 -35.57 30.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 49.0 mtp 52.2 42.58 30.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -109.03 -45.54 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.72 -159.1 15.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -79.38 -176.04 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.465 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -112.17 120.94 43.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.18 -41.84 63.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 pp -144.27 154.59 43.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.2 mt -125.01 138.65 53.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.0 mt -94.29 156.29 38.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.561 0.696 . . . . 0.0 110.943 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 3.0 3.0 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.2 p -114.37 20.16 15.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.547 ' O ' ' CD2' ' A' ' 34' ' ' HIS . . . 66.16 54.94 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 36.9 m170 -146.18 117.97 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.655 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 59.8 p -113.33 160.51 18.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.735 ' O ' HD11 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -146.88 119.74 8.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -67.97 167.71 13.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -54.86 -45.16 74.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -66.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 95.5 m -50.65 -60.87 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.735 HD11 ' O ' ' A' ' 36' ' ' PHE . 77.4 mt -44.84 -44.44 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.19 -45.38 77.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -50.7 -60.72 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.563 ' CD2' ' O ' ' A' ' 44' ' ' TRP . 55.6 p-90 -90.77 106.86 18.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.9 m -55.59 132.98 50.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -73.55 78.57 1.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -74.98 -52.54 10.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.45 ' H ' ' CD2' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -96.28 179.24 5.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -120.42 45.66 2.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -132.25 171.44 13.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.6 t -83.69 126.59 70.56 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.291 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.1 mm -49.77 -55.91 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 92.8 m -60.73 -37.68 82.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -39.21 68.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.5 mt -57.17 -32.28 66.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 56.58 45.78 21.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 28.5 tpp -47.63 -52.98 16.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.9 m -109.62 119.45 39.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.157 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -162.61 117.11 0.75 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 40.65 41.99 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 0.0 111.062 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -89.23 145.45 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 64' ' ' SER . 11.3 tp10 -118.42 155.74 30.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 73.9 m -68.89 110.02 4.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.8 p -126.44 165.31 19.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -49.21 -68.61 1.27 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 158.71 55.96 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.683 2.256 . . . . 0.0 112.332 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 t 42.82 45.72 4.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.0 t -97.59 -58.37 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.442 -179.963 . . . . . . . . 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 1.452 -0.298 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -161.45 176.03 11.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 0.0 110.849 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -171.33 117.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.66 98.75 1.98 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 m -84.58 42.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -101.74 93.47 5.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.95 130.16 0.82 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -100.78 43.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -83.1 77.79 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.6 92.21 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -127.31 79.2 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.7 mt -121.93 86.14 2.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 t -171.7 127.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -148.3 157.1 43.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -43.74 -42.72 5.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.65 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 16.7 mt-10 -106.21 165.9 10.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -157.41 128.83 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.3 t -54.33 160.17 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -100.79 -40.83 7.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 80.1 mt -66.01 -63.09 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.3 p -88.3 -40.04 13.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.2 ttm 50.81 45.2 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -104.39 -48.2 3.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.25 -116.93 4.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -123.8 159.3 29.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.799 0.333 . . . . 0.0 110.857 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.65 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . . . -92.23 130.9 37.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.93 -38.97 44.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.445 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.6 pp -133.95 159.12 41.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.0 mt -127.61 136.53 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.9 mt -95.17 156.09 38.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 0.0 110.936 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 1.08 4.74 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.649 2.232 . . . . 0.0 112.336 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.0 p -115.01 25.74 10.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.82 51.1 4.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.636 ' NE2' HG21 ' A' ' 53' ' ' ILE . 39.6 m170 -141.63 109.54 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.596 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -108.74 161.1 15.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.748 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 35' ' ' SER . 2.8 m-85 -146.9 139.62 25.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.9 p -83.95 166.54 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -58.55 -45.21 89.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.9 -62.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.5 m -58.97 -64.07 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.1 mt -40.88 -35.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -77.21 -52.08 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -40.3 -60.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -74.61 136.6 42.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.961 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 t -68.92 173.46 5.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -114.86 109.81 18.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.828 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -128.86 -53.24 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -98.37 -34.53 10.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 64.06 46.83 3.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -119.46 163.48 17.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 t -70.04 117.75 57.04 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -49.2 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.636 HG21 ' NE2' ' A' ' 34' ' ' HIS . 25.6 mm -43.8 -67.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 89.7 m -48.03 -41.87 26.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.422 ' C ' ' HD3' ' A' ' 55' ' ' ARG . 2.0 tmt_? -58.11 -44.39 87.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.1 mt -52.56 -51.06 61.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.09 95.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.54 127.26 31.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 44.9 m -102.24 89.28 3.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.72 69.77 0.27 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.43 168.57 18.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.309 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -101.07 170.77 8.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.26 166.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.0 p -47.28 115.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.5 p -104.8 169.67 8.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.65 -154.82 4.97 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 136.83 33.89 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' SER . 3.0 m -74.41 -60.14 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' SER . 8.6 t -36.68 133.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.181 -0.789 . . . . 0.0 112.462 -179.981 . . . . . . . . 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 -0.355 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 p -162.28 125.09 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.371 . . . . 0.0 110.895 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -169.79 143.61 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.02 -133.45 0.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -76.13 96.74 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 m -169.62 166.75 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.05 -168.76 41.86 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' VAL . 62.9 mtt180 -110.93 98.78 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.355 . . . . 0.0 110.89 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' ARG . 35.8 m -37.49 132.97 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -163.76 131.7 3.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -128.16 44.51 2.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.7 143.66 51.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.3 m -155.92 123.96 5.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.136 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -106.45 148.34 28.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -98.53 -34.59 10.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.577 ' CG ' ' HB3' ' A' ' 26' ' ' ALA . 0.6 OUTLIER -92.53 165.28 13.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' C ' ' HB2' ' A' ' 26' ' ' ALA . 39.3 mt-10 -148.67 140.44 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.6 t -44.29 158.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.0 m -99.93 -42.73 6.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.16 -67.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 23' ' ' ASP . 27.2 p -89.26 -30.79 18.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.9 ptp 39.86 29.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' CYS . 29.2 m-20 -108.52 46.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.97 -108.75 0.3 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.19 160.37 40.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.589 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -101.33 130.77 47.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.69 -39.46 44.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.45 HD21 HD13 ' A' ' 41' ' ' ILE . 3.4 pp -142.45 166.68 24.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -131.24 128.03 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.2 mt -81.85 156.84 69.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.672 0.748 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 2.65 3.32 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.73 2.287 . . . . 0.0 112.366 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.2 p -114.55 21.27 14.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 66.14 46.78 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -139.2 113.85 9.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.622 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 53.8 p -104.77 164.19 11.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 35' ' ' SER . 5.7 m-85 -151.03 131.76 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -80.33 160.18 25.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -49.83 -42.07 46.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -53.9 -63.24 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.2 m -56.02 -57.78 10.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.45 HD13 HD21 ' A' ' 28' ' ' LEU . 84.1 mt -45.93 -49.09 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -58.81 -44.59 90.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -49.94 70.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.8 m95 -75.85 100.64 4.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.971 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.3 p -80.8 43.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -107.76 119.8 40.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.67 89.59 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -155.74 169.97 23.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -92.91 43.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -121.02 173.51 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.2 t -125.69 133.37 24.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -49.07 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.305 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.44 -35.32 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 68.0 m -81.69 -32.55 31.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -58.56 -56.58 20.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.466 ' C ' HD12 ' A' ' 56' ' ' LEU . 1.6 pp -64.18 -39.69 94.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -65.25 96.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 29.5 mtm -96.03 -46.79 6.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 74.8 p -40.92 122.72 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.87 137.97 24.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.21 93.05 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 111.064 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 40.01 41.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -137.23 161.88 34.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.2 p -50.02 134.32 21.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.7 m -120.66 160.1 23.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.27 -95.0 0.83 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 127.33 14.46 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 65.7 p -116.43 147.85 41.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.9 t -152.32 130.75 12.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.464 -179.955 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -142.74 119.24 10.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.389 . . . . 0.0 110.851 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -89.45 150.38 22.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.01 -158.73 51.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -131.9 127.22 36.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.865 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -152.95 131.27 12.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.57 -128.75 2.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.6 100.67 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.8 m -67.17 137.71 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -155.19 144.04 20.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -118.9 43.11 2.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 mt -136.81 160.68 38.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.5 p -148.49 113.07 5.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -106.65 140.8 38.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -86.97 -46.51 9.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.611 ' HG2' HD11 ' A' ' 29' ' ' ILE . 5.8 mt-10 -112.02 156.86 21.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' HG3' ' C ' ' A' ' 16' ' ' GLU . 25.7 mt-10 -154.98 134.96 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.8 t -54.21 159.07 2.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.8 t -112.23 -23.39 10.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.8 mt -77.38 -65.79 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.4 p -96.87 -25.64 15.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.4 mtt 56.26 46.88 20.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -56.48 -44.06 80.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.57 -30.83 0.36 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.533 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.0 mmm-85 -130.03 177.08 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.671 ' HB1' ' OG ' ' A' ' 35' ' ' SER . . . -138.25 145.05 40.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' CG ' ' HG2' ' A' ' 38' ' ' GLN . 16.1 t70 -91.01 -32.48 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 pp -155.88 149.43 24.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.611 HD11 ' HG2' ' A' ' 16' ' ' GLU . 80.6 mt -117.32 143.03 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.0 mt -94.67 156.23 38.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.573 0.701 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 2.56 3.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.456 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 6.9 p -115.97 20.1 14.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 69.07 49.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.415 ' CD2' ' O ' ' A' ' 33' ' ' ALA . 45.8 m170 -140.78 112.43 7.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.671 ' OG ' ' HB1' ' A' ' 26' ' ' ALA . 3.0 t -107.1 162.98 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.715 ' O ' HD11 ' A' ' 41' ' ' ILE . 4.0 m-85 -148.22 120.53 8.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 p -70.83 161.91 30.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' HG2' ' CG ' ' A' ' 27' ' ' ASP . 5.2 mm-40 -49.07 -51.41 31.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -45.12 -64.32 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 96.2 m -52.71 -62.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.715 HD11 ' O ' ' A' ' 36' ' ' PHE . 52.1 mt -43.36 -39.48 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -68.85 -50.17 52.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -58.92 -53.52 57.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -74.51 141.39 44.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.9 m -100.46 107.1 18.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -162.49 130.12 3.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -112.15 -57.06 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -43.52 165.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -83.39 44.27 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -91.38 170.71 9.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 45.2 t -129.98 120.64 19.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.626 0.727 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -48.76 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.6 mt -52.19 -50.41 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 98.5 m -69.96 -39.81 75.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -23.45 36.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.0 mt -91.55 -38.59 12.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -104.92 56.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.1 mtt -45.11 131.53 7.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.7 t -43.4 162.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.126 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -102.3 53.14 0.8 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.4 152.34 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -57.06 132.06 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -152.88 146.13 24.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 t -72.6 135.24 45.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.0 p -152.25 145.54 24.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.41 81.82 0.55 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -33.84 15.87 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.726 2.284 . . . . 0.0 112.313 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.7 p -88.8 158.31 18.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 t -60.58 93.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.506 -179.999 . . . . . . . . 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 -0.363 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -164.52 158.28 18.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.811 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 p -169.37 121.23 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.91 141.29 4.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -139.42 157.36 45.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.885 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 p -111.96 174.35 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.71 163.92 50.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -70.53 130.23 41.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.7 t -121.21 130.6 74.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.059 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -123.79 52.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -143.82 162.99 34.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.38 121.05 18.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.4 p -109.92 -46.27 3.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.69 149.22 40.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -100.21 -49.89 4.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.698 ' HG2' HD11 ' A' ' 29' ' ' ILE . 9.1 mp0 -105.88 161.5 14.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.502 ' C ' ' HB2' ' A' ' 26' ' ' ALA . 32.3 mt-10 -159.78 145.97 15.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.5 t -60.56 159.32 10.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.4 t -95.29 -45.5 7.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.4 -74.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -80.02 -33.43 39.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.7 ptp 40.02 36.41 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.08 -54.35 4.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.73 -114.79 3.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -117.29 173.79 6.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.502 ' HB2' ' C ' ' A' ' 17' ' ' GLU . . . -103.76 140.34 37.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -84.19 -36.95 22.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 28' ' ' LEU . 4.5 pp -142.43 167.66 21.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.698 HD11 ' HG2' ' A' ' 16' ' ' GLU . 20.3 mt -133.84 135.8 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -92.83 158.38 37.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.32 2.83 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 4.8 p -110.66 14.34 22.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 32' ' ' CYS . . . 71.14 31.92 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -124.55 111.23 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.644 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 1.2 m -103.72 162.87 12.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.644 ' CD1' ' C ' ' A' ' 35' ' ' SER . 3.3 m-85 -149.49 148.94 30.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -90.79 169.74 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -61.86 -44.92 95.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -49.36 -61.57 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 83.5 m -59.58 -64.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 71.0 mt -40.12 -44.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -46.5 -60.3 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -55.05 -42.17 72.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -78.2 167.15 21.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.9 t -92.77 106.31 18.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -91.08 41.24 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.3 mtt-85 -86.7 -47.02 9.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -110.8 174.29 5.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.42 17.67 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -62.37 123.63 18.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.1 t -97.62 118.0 64.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.639 0.733 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -13.15 34.22 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 2.236 . . . . 0.0 112.359 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.6 mm -86.45 -59.97 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 73.6 m -62.16 -27.02 68.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.411 ' C ' ' HD3' ' A' ' 55' ' ' ARG . 0.8 OUTLIER -46.69 -38.38 9.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.443 ' HG ' ' N ' ' A' ' 57' ' ' GLN . 0.6 OUTLIER -93.58 -35.58 12.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.443 ' N ' ' HG ' ' A' ' 56' ' ' LEU . 43.5 tt0 -77.46 104.74 8.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -59.78 127.01 29.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.1 m -114.25 150.82 33.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.24 96.05 0.27 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.511 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.79 83.52 2.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.755 0.312 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -71.88 -48.17 47.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -74.42 159.36 32.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.3 t -164.99 124.15 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.8 m -58.2 -49.8 75.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.61 174.79 36.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -46.43 1.21 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.695 2.263 . . . . 0.0 112.316 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.4 t -87.44 115.67 25.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.8 t -55.82 -49.72 72.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.504 -179.97 . . . . . . . . 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_