data_2en7_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 2en7 _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 ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.968 0.413 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 t -76.8 145.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -75.15 107.03 6.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 16' ' ' ASN . 0.9 OUTLIER -67.47 -3.07 7.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -91.97 -47.64 7.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.5 p -115.43 -33.63 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 111.55 7.58 23.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.441 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 2.4 tmtm? -62.23 112.85 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.52 137.0 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 27.8 m-85 -127.39 -174.84 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -98.34 -37.18 9.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.7 m -129.39 156.96 43.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -62.58 -31.26 72.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.7 p -62.36 -32.35 73.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -74.41 -32.94 62.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 tp -78.76 -32.83 46.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.0 mt -67.75 -46.05 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.0 pt -69.9 -13.69 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.457 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.5 t60 -93.97 -50.87 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 -179.892 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.932 0.396 . . . . 0.0 110.918 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 t -75.84 138.65 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.14 119.87 13.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -83.25 20.46 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -122.72 -38.52 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -120.29 -33.67 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.04 13.98 18.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -69.47 111.64 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.72 143.94 26.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -134.05 177.98 7.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.1 ttp85 -94.41 -34.66 12.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 m -128.02 168.49 15.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -71.25 -45.73 62.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.7 p -53.95 -27.49 31.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -72.09 -39.22 69.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.6 tp -74.29 -28.6 61.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.6 mt -70.5 -44.54 76.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.2 pt -67.34 -17.04 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -94.12 -56.54 2.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.8 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.991 0.424 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.8 t -78.55 140.39 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.449 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 1.8 t -70.27 110.26 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -66.69 -2.4 4.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.449 ' CD ' ' SG ' ' A' ' 15' ' ' CYS . 1.9 mp0 -98.05 -63.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -95.11 -23.78 17.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 94.86 13.0 54.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.562 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 7.3 tptm -64.8 113.46 3.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.54 129.63 35.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.562 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 15.5 m-85 -117.46 -178.76 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -93.88 -36.58 12.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.1 m -131.52 164.53 25.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HD3' ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -68.07 -37.27 81.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.401 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 47.6 t -66.86 -19.08 65.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -83.59 -28.57 28.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.555 HD11 ' CE1' ' A' ' 22' ' ' PHE . 3.9 tp -85.07 -35.63 21.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.5 mt -61.99 -39.39 83.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.7 pt -68.12 -19.46 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.508 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -94.14 -41.67 9.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 -179.904 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.422 ' CD2' ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 t -75.89 144.71 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.31 121.22 15.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -84.64 29.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -132.84 -39.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -119.46 -34.91 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.27 22.0 7.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -74.22 111.3 9.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.89 130.87 36.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.405 ' CD1' ' HB3' ' A' ' 27' ' ' TYR . 63.0 m-85 -123.25 178.29 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 24' ' ' SER . 2.6 ptm180 -90.45 -27.97 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 33.0 t -145.84 158.53 43.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' N ' ' CD2' ' A' ' 13' ' ' TYR . 12.3 ttpt -55.87 -41.76 74.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -49.4 -40.09 34.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.405 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 4.4 m-85 -70.37 -28.59 65.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -83.46 -27.5 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.6 mt -75.21 -36.15 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.8 pp -76.98 -17.85 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -94.17 -49.23 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 -179.921 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.978 0.418 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.8 t -75.8 141.25 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.12 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.61 121.89 15.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -83.66 22.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -124.91 -46.11 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -113.02 -33.36 6.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.7 17.38 11.24 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.45 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HE3' ' CE2' ' A' ' 22' ' ' PHE . 2.1 tmtt? -70.64 113.17 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.766 0.317 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.24 135.56 33.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CE2' ' HE3' ' A' ' 20' ' ' LYS . 25.7 m-85 -125.52 -179.46 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -93.81 -35.23 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.3 p -137.52 155.78 48.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' CD ' HD11 ' A' ' 29' ' ' ILE . 14.3 ttmm -56.97 -45.0 83.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -55.9 -25.07 41.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -81.34 -32.59 32.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.956 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.563 HD12 ' CE1' ' A' ' 22' ' ' PHE . 12.2 tp -80.4 -39.78 27.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.463 HD11 ' CD ' ' A' ' 25' ' ' LYS . 32.6 mt -57.1 -45.35 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.5 pt -63.89 -15.64 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.525 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -94.16 -48.08 6.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.0 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 15' ' ' CYS . 10.6 t -75.85 146.15 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -77.27 108.33 10.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -67.2 -4.51 10.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -90.77 -52.34 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.2 p -110.78 -31.16 7.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 107.34 14.57 17.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -66.83 112.94 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.19 129.32 36.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -119.87 175.61 5.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -90.28 -35.05 15.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 m -126.51 168.18 14.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -71.25 -44.19 65.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -54.66 -32.64 59.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -68.35 -33.0 73.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -78.46 -33.2 48.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.5 mt -69.68 -44.32 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.8 pp -67.02 -17.44 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -94.41 -55.52 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.0 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 -179.943 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.98 0.419 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.9 t -75.8 143.77 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.154 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.0 119.15 12.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -84.23 29.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -133.58 -38.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -119.11 -38.81 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.86 20.34 6.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.575 ' HE3' ' CE2' ' A' ' 22' ' ' PHE . 1.4 tmtt? -77.57 112.01 13.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.2 139.71 30.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.575 ' CE2' ' HE3' ' A' ' 20' ' ' LYS . 34.4 m-85 -128.14 -179.68 5.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.66 -39.21 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.7 p -123.12 171.08 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -75.37 -34.0 61.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.8 t -62.89 -33.87 76.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -66.2 -35.25 79.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.3 tp -78.52 -29.48 46.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.1 mt -70.67 -38.8 74.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.5 pt -76.14 -16.61 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.52 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -94.78 -40.98 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 -179.896 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.928 0.394 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.7 t -75.65 133.23 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.68 118.55 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -83.33 20.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -121.84 -38.02 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -121.28 -33.86 3.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.98 18.24 10.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -72.34 111.3 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.327 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.51 137.51 32.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.674 ' CD1' ' CD1' ' A' ' 27' ' ' TYR . 74.8 m-85 -128.92 -175.23 3.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -96.84 -35.71 10.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.5 p -133.19 167.67 19.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -68.0 -41.57 82.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -53.15 -33.54 52.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.674 ' CD1' ' CD1' ' A' ' 22' ' ' PHE . 1.1 t80 -72.42 -36.05 68.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tp -76.62 -25.55 54.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.8 mt -74.37 -46.67 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.174 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.7 pp -67.38 -14.7 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -94.42 -54.88 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -179.887 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.91 0.386 . . . . 0.0 110.939 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 15' ' ' CYS . 15.9 t -76.62 145.44 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' N ' HG11 ' A' ' 14' ' ' VAL . 1.8 t -74.51 113.04 11.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -72.64 2.85 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -98.58 -50.67 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.3 p -112.35 -32.81 6.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.41 10.38 21.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 2.0 tmtt? -64.1 114.04 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.21 141.82 28.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 51.8 m-85 -131.12 -174.91 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 ttm-85 -97.56 -37.96 9.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.9 p -131.66 168.86 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -70.74 -34.29 71.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -60.39 -33.4 72.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.401 ' CD1' ' HD2' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -73.87 -41.32 62.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.84 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.523 HD11 ' CE1' ' A' ' 22' ' ' PHE . 14.6 tp -72.61 -35.1 67.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.1 mt -62.25 -43.52 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.8 pt -70.83 -12.76 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 2.4 t60 -94.35 -53.7 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.923 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.922 0.391 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.61 136.55 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.7 120.36 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -84.23 29.35 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -132.18 -42.09 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -116.2 -40.07 3.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.14 15.46 7.19 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 11.6 tptm -71.14 111.16 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.83 129.22 36.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 46.1 m-85 -118.02 178.36 4.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -91.1 -32.25 15.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.8 p -137.49 164.6 28.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -64.29 -47.46 79.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.2 m -54.86 -30.24 57.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -75.44 -30.23 59.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.551 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 5.1 tp -84.07 -35.47 23.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.8 mt -63.62 -42.94 97.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.1 pt -63.6 -18.42 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.434 ' CD2' ' N ' ' A' ' 32' ' ' THR . 1.5 t60 -94.11 -54.3 3.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.434 ' N ' ' CD2' ' A' ' 31' ' ' HIS . 42.5 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.149 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.465 ' O ' ' CD2' ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.912 0.387 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 t -75.89 139.88 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -70.19 109.64 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -71.53 -0.59 10.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -95.41 -43.36 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 p -118.75 -33.66 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 111.02 8.01 24.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.559 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 12.0 tptm -62.5 110.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.332 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.62 128.88 36.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 26.5 m-85 -117.4 173.05 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -84.91 -30.74 24.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.0 m -136.8 174.11 10.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' N ' ' CD2' ' A' ' 13' ' ' TYR . 13.5 ttpt -74.63 -45.26 46.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.8 p -57.06 -29.39 63.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -75.76 -29.3 58.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 6.6 tp -83.75 -36.5 23.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 mt -63.28 -42.65 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.8 pt -63.01 -20.82 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.465 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -93.04 -47.15 7.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.3 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.503 ' CD2' ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.929 0.395 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.6 t -75.94 134.99 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -67.32 110.33 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -68.02 -5.44 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -89.06 -56.81 3.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 p -107.54 -29.9 8.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.73 1.78 30.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 5.4 tppt? -50.63 108.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.95 120.79 31.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.575 ' CD2' ' CD1' ' A' ' 27' ' ' TYR . 51.0 m-85 -112.64 178.65 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -87.44 -41.8 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.2 t -127.9 168.65 14.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.503 ' N ' ' CD2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -70.31 -37.25 74.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.6 t -56.91 -28.47 62.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.575 ' CD1' ' CD2' ' A' ' 22' ' ' PHE . 1.1 t80 -75.18 -39.25 60.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.1 tp -69.6 -29.01 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.9 mt -69.12 -39.42 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.1 pt -73.5 -13.02 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.5 t60 -93.97 -44.92 7.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.928 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.543 ' CE2' ' HA ' ' A' ' 24' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.939 0.4 . . . . 0.0 110.954 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.5 t -75.74 134.3 29.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.85 120.61 11.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -84.52 29.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -131.89 -42.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.5 p -115.8 -40.0 3.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.38 14.98 7.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.0 tptm -70.8 111.94 6.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.92 141.18 28.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -132.78 -174.95 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.6 ttt85 -94.95 -40.11 9.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.543 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 5.0 t -132.84 177.85 7.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' LEU . 14.4 mmmt -69.99 -51.82 29.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.9 p -43.72 -27.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -80.77 -37.78 29.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' LYS . 20.7 tp -75.52 -34.11 60.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.8 mt -67.57 -48.53 76.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.7 pp -63.63 -18.94 23.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -94.58 -34.78 12.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.4 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.9 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.93 0.395 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 15' ' ' CYS . 15.8 t -75.52 143.64 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.067 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' N ' HG11 ' A' ' 14' ' ' VAL . 1.8 t -67.69 120.85 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -84.4 31.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -134.89 -43.97 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -113.51 -38.67 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.75 16.89 7.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.588 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 15.0 tptm -72.98 112.19 8.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.768 0.318 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.64 124.06 34.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.588 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 11.6 m-85 -113.87 167.35 10.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -78.36 -37.68 43.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -129.55 170.71 13.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HG2' ' CD1' ' A' ' 29' ' ' ILE . 22.1 ttpt -72.95 -42.96 62.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.4 m -57.1 -31.61 65.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.44 -30.36 64.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.574 HD12 ' CE1' ' A' ' 22' ' ' PHE . 10.3 tp -86.19 -34.44 20.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.408 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 18.3 mt -63.32 -36.11 74.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.422 ' C ' HD11 ' A' ' 30' ' ' ILE . 2.7 pp -77.32 -12.98 14.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -94.65 -35.32 12.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.878 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.902 0.382 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.444 HG23 ' CB ' ' A' ' 21' ' ' ALA . 97.2 t -75.97 140.63 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.09 118.95 11.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -84.54 28.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -132.37 -36.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 p -121.28 -37.87 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.27 18.44 7.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 tptp -75.73 111.57 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.444 ' CB ' HG23 ' A' ' 14' ' ' VAL . . . -89.93 142.81 27.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -134.24 177.4 7.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.1 mtm-85 -87.76 -40.39 14.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.7 p -132.34 160.17 37.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' C ' HD11 ' A' ' 29' ' ' ILE . 23.0 pttt -58.75 -42.87 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.9 t -48.54 -38.58 20.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -68.64 -42.05 78.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -73.75 -21.8 60.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.407 HD11 ' C ' ' A' ' 25' ' ' LYS . 22.9 mt -75.13 -41.03 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.6 pt -76.73 -13.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.432 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.6 t60 -94.01 -37.56 11.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.903 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.981 0.419 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 15' ' ' CYS . 70.4 t -75.52 142.96 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.128 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 19' ' ' GLY . 2.9 t -75.02 106.38 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -66.49 -4.32 8.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -89.46 -49.14 6.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -116.21 -33.35 5.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.15 6.41 22.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 1.7 tmtt? -59.96 112.88 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.03 134.51 34.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 20.5 m-85 -122.45 177.69 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.39 -27.68 18.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -145.59 165.26 29.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -66.19 -45.86 79.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.4 t -56.69 -17.54 9.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -88.8 -31.14 18.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.569 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.5 tp -86.53 -31.69 21.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.0 mt -60.71 -39.98 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.8 pt -71.95 -15.13 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.564 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -94.06 -45.44 7.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 85.0 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.124 -179.895 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.91 0.386 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 15' ' ' CYS . 69.9 t -75.52 137.89 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.429 ' N ' HG13 ' A' ' 14' ' ' VAL . 1.8 t -65.97 122.12 16.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -84.54 27.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -130.05 -43.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -116.15 -37.84 3.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.24 9.9 14.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 1.3 tmtt? -65.98 114.1 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.64 146.89 24.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CE1' HD11 ' A' ' 28' ' ' LEU . 38.6 m-85 -134.88 -174.85 3.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 24' ' ' SER . 3.5 ptp180 -105.11 -32.23 8.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.465 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 49.1 m -128.2 157.7 40.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.0 ttpp -68.44 -30.36 69.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.1 t -68.8 -24.61 64.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.409 ' CD1' ' HD2' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -78.9 -34.4 44.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' A' ' 22' ' ' PHE . 15.4 tp -77.56 -39.93 44.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.9 mt -59.29 -45.51 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.8 pp -69.36 -11.79 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.417 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 2.4 t60 -94.09 -49.21 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.2 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.901 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.954 0.407 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.0 t -75.63 129.43 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.67 123.74 13.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -87.96 28.51 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -132.24 -42.42 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -115.29 -35.28 4.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.43 21.56 7.55 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.45 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 2.6 tmtt? -75.12 111.77 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.961 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.44 131.38 35.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 22.4 m-85 -123.72 -179.07 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -87.7 -41.13 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.1 p -129.73 -177.19 4.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.404 ' N ' ' CD2' ' A' ' 13' ' ' TYR . 17.4 pttm -78.69 -41.08 32.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 3.6 p -53.68 -27.8 29.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -77.23 -37.29 53.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 tp -74.95 -38.19 61.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.1 mt -64.41 -50.92 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.7 pp -65.48 -11.93 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.418 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.6 t60 -94.24 -53.36 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.411 ' N ' ' CD2' ' A' ' 31' ' ' HIS . 88.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.925 0.393 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 15' ' ' CYS . 87.3 t -75.14 142.79 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.9 t -76.48 108.85 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -66.24 -5.67 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -90.06 -58.18 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.6 p -105.49 -27.71 11.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 106.04 1.14 38.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.506 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.488 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.3 tppt? -52.46 112.65 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.74 123.6 37.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 15.3 m-85 -113.74 179.22 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.461 ' HD2' ' CB ' ' A' ' 24' ' ' SER . 2.3 ppt_? -94.17 -27.1 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.461 ' CB ' ' HD2' ' A' ' 23' ' ' ARG . 2.0 m -141.33 169.18 18.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -69.98 -42.51 73.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -57.39 -32.04 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -75.91 -29.48 58.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.563 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 10.4 tp -85.88 -30.21 23.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.7 mt -68.15 -35.35 71.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.3 pt -70.04 -18.65 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.503 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -94.29 -39.91 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 -179.875 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.527 ' CD2' ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.92 0.39 . . . . 0.0 110.937 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.6 t -75.53 134.27 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.37 117.95 6.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -79.58 12.49 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -111.08 -45.7 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.7 p -115.88 -31.98 5.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.82 3.86 28.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.8 tppt? -55.57 107.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.01 123.01 33.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 14.1 m-85 -116.33 176.96 4.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -87.25 -39.26 15.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.8 m -134.86 149.73 50.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.527 ' N ' ' CD2' ' A' ' 13' ' ' TYR . 31.5 ttpt -47.62 -43.9 26.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -45.28 -39.46 6.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -71.81 -31.07 66.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -78.96 -30.87 44.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.2 mt -71.65 -43.56 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.58 -14.1 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -94.44 -54.54 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.911 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 t -172.37 150.88 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -129.01 108.65 10.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.66 -52.35 0.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t 62.17 42.25 9.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -104.35 162.95 12.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.95 -140.26 5.97 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -89.1 42.21 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 111.168 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.12 177.77 42.63 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.2 mmm -81.34 -58.32 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.412 ' HB3' ' CG2' ' A' ' 14' ' ' VAL . 6.7 mttm -103.29 162.06 21.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.547 0.689 . . . . 0.0 110.94 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.595 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.77 -90.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.595 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -106.19 19.05 21.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.412 ' CG2' ' HB3' ' A' ' 11' ' ' LYS . 14.1 t -76.8 145.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -75.15 107.03 6.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 16' ' ' ASN . 0.9 OUTLIER -67.47 -3.07 7.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -91.97 -47.64 7.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.5 p -115.43 -33.63 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 111.55 7.58 23.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.441 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 2.4 tmtm? -62.23 112.85 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.52 137.0 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 27.8 m-85 -127.39 -174.84 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -98.34 -37.18 9.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.7 m -129.39 156.96 43.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -62.58 -31.26 72.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 76.7 p -62.36 -32.35 73.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -74.41 -32.94 62.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 tp -78.76 -32.83 46.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.0 mt -67.75 -46.05 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.433 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 6.0 pt -69.9 -13.69 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.457 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.5 t60 -93.97 -50.87 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 m -45.75 -21.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 12.4 ptm180 -78.5 -38.05 41.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.409 HG21 ' N ' ' A' ' 35' ' ' HIS . 2.6 t -50.56 -33.98 23.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.409 ' N ' HG21 ' A' ' 34' ' ' THR . 22.9 m-70 -47.31 -19.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.4 p -82.32 39.36 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.31 41.57 2.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -105.99 -46.64 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -49.68 -58.86 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -40.8 -88.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 141.47 45.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.338 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.3 t -162.32 176.27 10.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.1 t -128.96 153.52 47.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.488 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 m -141.68 159.9 41.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -129.71 154.06 47.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.43 172.18 24.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -107.85 -48.99 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -127.28 43.25 3.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.65 100.91 0.23 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.8 m -114.14 81.09 1.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 111.148 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.19 113.03 4.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 52.0 mtm -133.64 151.11 51.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -128.05 152.82 78.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.557 0.694 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.596 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.3 Cg_endo -69.75 -90.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.281 . . . . 0.0 112.311 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.596 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -106.58 5.33 28.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 t -75.84 138.65 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.14 119.87 13.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -83.25 20.46 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -122.72 -38.52 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -120.29 -33.67 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.04 13.98 18.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -69.47 111.64 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.72 143.94 26.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -134.05 177.98 7.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.1 ttp85 -94.41 -34.66 12.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 m -128.02 168.49 15.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -71.25 -45.73 62.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.7 p -53.95 -27.49 31.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -72.09 -39.22 69.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.6 tp -74.29 -28.6 61.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.6 mt -70.5 -44.54 76.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.2 pt -67.34 -17.04 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 34' ' ' THR . 4.9 t60 -94.12 -56.54 2.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.8 m -39.36 -25.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 31' ' ' HIS . 13.6 ptm180 -81.0 -41.26 22.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.6 t -47.99 -30.21 4.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -48.9 -18.85 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.5 m -58.32 -41.49 84.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.91 93.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -116.88 142.24 47.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.379 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.8 t 52.51 44.01 30.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.36 166.22 45.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 2.83 3.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.6 p 53.98 43.06 31.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.3 t -102.74 -45.75 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.501 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 1' ' ' GLY . 7.1 m -37.09 -44.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.829 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 p -59.78 108.29 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.17 90.28 0.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -110.76 108.38 18.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -110.67 -49.43 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.66 57.99 2.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.1 p -109.42 -37.59 5.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.832 0.349 . . . . 0.0 111.175 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.5 42.19 1.98 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -88.83 80.57 7.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -134.77 73.78 66.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.572 0.701 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.514 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.68 -54.25 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.336 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.514 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -117.25 15.15 14.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.8 t -78.55 140.39 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 1.8 t -70.27 110.26 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -66.69 -2.4 4.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' CD ' ' SG ' ' A' ' 15' ' ' CYS . 1.9 mp0 -98.05 -63.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -95.11 -23.78 17.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 94.86 13.0 54.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.562 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 7.3 tptm -64.8 113.46 3.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.54 129.63 35.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.562 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 15.5 m-85 -117.46 -178.76 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -93.88 -36.58 12.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.1 m -131.52 164.53 25.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HD3' ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -68.07 -37.27 81.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.401 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 47.6 t -66.86 -19.08 65.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -83.59 -28.57 28.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.555 HD11 ' CE1' ' A' ' 22' ' ' PHE . 3.9 tp -85.07 -35.63 21.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.5 mt -61.99 -39.39 83.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.488 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 5.7 pt -68.12 -19.46 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.508 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -94.14 -41.67 9.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.5 t -48.44 -22.35 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.488 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 5.5 ptm180 -74.0 -34.34 64.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.8 p -55.78 -14.74 2.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -84.86 15.77 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.2 t -77.07 -31.08 55.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -50.48 -53.92 22.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.32 -59.91 4.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.7 p -76.17 179.32 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.813 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.62 75.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 126.73 13.65 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.3 p -114.05 159.37 20.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.3 t 55.83 42.95 28.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.505 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 p -147.54 141.22 25.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 m -53.38 129.57 32.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.66 165.97 27.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 m -45.51 131.54 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -115.86 -45.21 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.78 77.37 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 p -45.82 -36.76 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.92 88.34 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.1 mtt -114.16 39.89 2.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.896 0.379 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -94.57 142.43 24.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.573 0.702 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.617 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.72 -90.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.729 2.286 . . . . 0.0 112.302 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.617 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -108.94 18.56 20.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 t -75.89 144.71 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.31 121.22 15.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -84.64 29.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -132.84 -39.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -119.46 -34.91 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.27 22.0 7.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -74.22 111.3 9.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.89 130.87 36.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.405 ' CD1' ' HB3' ' A' ' 27' ' ' TYR . 63.0 m-85 -123.25 178.29 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 24' ' ' SER . 2.6 ptm180 -90.45 -27.97 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 33.0 t -145.84 158.53 43.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' N ' ' CD2' ' A' ' 13' ' ' TYR . 12.3 ttpt -55.87 -41.76 74.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -49.4 -40.09 34.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.405 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 4.4 m-85 -70.37 -28.59 65.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -83.46 -27.5 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.6 mt -75.21 -36.15 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.425 ' HA ' ' CD ' ' A' ' 33' ' ' ARG . 2.8 pp -76.98 -17.85 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -94.17 -49.23 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 t -47.26 -27.95 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.425 ' CD ' ' HA ' ' A' ' 30' ' ' ILE . 6.2 ptm180 -76.07 -44.58 38.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.7 p -47.71 -33.49 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 36' ' ' THR . 20.0 m-70 -48.05 -32.46 6.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 35' ' ' HIS . 29.1 p 34.17 39.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.96 58.76 12.09 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -105.2 -40.17 5.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.5 p -72.12 -27.99 62.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.09 148.37 24.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 92.93 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.334 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.1 p -92.95 43.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 t 65.43 42.55 3.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.197 -0.78 . . . . 0.0 112.452 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.9 p -53.28 -50.67 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 110.845 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m -116.22 143.39 45.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.45 40.76 7.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.1 p -111.76 -46.61 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -63.45 87.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.66 82.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 9' ' ' GLY . 6.8 t -46.05 -41.88 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 111.153 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.433 ' N ' HG23 ' A' ' 8' ' ' THR . . . 87.06 -121.01 5.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.467 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.2 tpt 52.43 38.63 25.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -108.84 153.61 42.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.566 0.698 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.585 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.74 -90.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.585 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -105.32 13.58 30.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.8 t -75.8 141.25 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.12 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.61 121.89 15.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -83.66 22.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -124.91 -46.11 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -113.02 -33.36 6.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.7 17.38 11.24 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.45 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HE3' ' CE2' ' A' ' 22' ' ' PHE . 2.1 tmtt? -70.64 113.17 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.766 0.317 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.24 135.56 33.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CE2' ' HE3' ' A' ' 20' ' ' LYS . 25.7 m-85 -125.52 -179.46 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -93.81 -35.23 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.3 p -137.52 155.78 48.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' CD ' HD11 ' A' ' 29' ' ' ILE . 14.3 ttmm -56.97 -45.0 83.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -55.9 -25.07 41.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -81.34 -32.59 32.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.956 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.563 HD12 ' CE1' ' A' ' 22' ' ' PHE . 12.2 tp -80.4 -39.78 27.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.463 HD11 ' CD ' ' A' ' 25' ' ' LYS . 32.6 mt -57.1 -45.35 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.5 pt -63.89 -15.64 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.525 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -94.16 -48.08 6.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.0 m -42.89 -44.12 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 2.6 ptp180 -52.55 -37.82 58.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.6 p -51.68 -18.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -81.53 15.63 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.5 m -93.28 -39.35 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.05 33.46 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -125.34 42.79 3.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.36 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.3 m -122.74 95.68 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -110.72 83.42 0.33 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.543 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 179.18 3.9 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.679 2.252 . . . . 0.0 112.339 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.2 t -45.76 131.63 9.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.2 m -113.21 42.09 1.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.526 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -120.89 166.67 13.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.866 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 t -82.91 87.27 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.73 178.57 16.34 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p 44.25 41.91 4.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.924 0.392 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.9 t -115.35 41.42 2.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.72 157.54 1.71 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 9' ' ' GLY . 25.1 m -134.31 85.5 2.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.86 0.362 . . . . 0.0 111.128 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 8' ' ' THR . . . 34.36 88.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.3 mmt -106.43 -44.12 4.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.84 139.97 46.86 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.563 0.697 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.613 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.78 -90.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.656 2.238 . . . . 0.0 112.332 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.613 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -108.56 19.06 20.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 15' ' ' CYS . 10.6 t -75.85 146.15 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -77.27 108.33 10.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -67.2 -4.51 10.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -90.77 -52.34 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.2 p -110.78 -31.16 7.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 107.34 14.57 17.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -66.83 112.94 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.19 129.32 36.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -119.87 175.61 5.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -90.28 -35.05 15.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 m -126.51 168.18 14.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -71.25 -44.19 65.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -54.66 -32.64 59.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -68.35 -33.0 73.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -78.46 -33.2 48.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.5 mt -69.68 -44.32 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 2.8 pp -67.02 -17.44 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -94.41 -55.52 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.0 m -43.46 -25.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 3.8 ptm180 -66.84 -40.88 88.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 t -50.46 -33.45 21.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -51.55 -16.93 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.8 m -63.2 -48.07 79.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.99 39.54 2.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -106.0 -63.42 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 m -98.67 -52.14 3.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.73 159.19 31.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.483 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 126.89 13.83 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -130.12 116.85 19.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.3 m -70.17 142.75 52.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.489 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.531 -0.227 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -108.83 -61.45 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t 57.16 42.07 26.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -157.45 -146.01 4.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLY . 54.9 m 37.08 42.21 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.1 m -112.3 -58.22 2.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.64 111.71 0.75 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.4 p -72.15 -48.29 44.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.119 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.02 -93.51 0.46 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -76.57 172.26 13.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -54.04 139.0 54.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.592 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.76 -90.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.592 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -107.44 7.71 29.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.9 t -75.8 143.77 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.154 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.0 119.15 12.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -84.23 29.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -133.58 -38.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -119.11 -38.81 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.86 20.34 6.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.575 ' HE3' ' CE2' ' A' ' 22' ' ' PHE . 1.4 tmtt? -77.57 112.01 13.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.2 139.71 30.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.575 ' CE2' ' HE3' ' A' ' 20' ' ' LYS . 34.4 m-85 -128.14 -179.68 5.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.66 -39.21 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.7 p -123.12 171.08 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -75.37 -34.0 61.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.8 t -62.89 -33.87 76.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -66.2 -35.25 79.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.3 tp -78.52 -29.48 46.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.1 mt -70.67 -38.8 74.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.5 pt -76.14 -16.61 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.52 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -94.78 -40.98 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 t -58.43 -29.28 66.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -69.48 -38.5 77.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.3 p -57.77 -29.47 64.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -59.34 -26.01 64.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 79.1 m -70.52 -43.85 68.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.56 40.9 1.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.438 ' HG2' ' CB ' ' A' ' 42' ' ' SER . 22.1 tt0 -105.1 42.08 1.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.9 p -75.33 126.19 30.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.61 -155.25 26.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.437 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 2.9 3.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.438 ' CB ' ' HG2' ' A' ' 38' ' ' GLU . 53.8 p -41.17 162.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.0 t -159.94 151.05 19.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.468 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 t -39.48 -44.3 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.865 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -45.33 -56.22 5.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.17 88.67 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -71.52 106.9 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.876 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -143.66 157.27 44.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.38 125.37 2.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.0 m -103.45 132.77 49.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 111.126 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.12 75.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.6 ptm -149.29 152.35 35.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.634 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 9.0 mtpp 60.26 42.77 0.66 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.565 0.698 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.77 -53.25 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.307 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.568 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -114.7 10.88 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.7 t -75.65 133.23 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.68 118.55 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -83.33 20.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -121.84 -38.02 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -121.28 -33.86 3.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.98 18.24 10.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -72.34 111.3 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.327 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.51 137.51 32.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.674 ' CD1' ' CD1' ' A' ' 27' ' ' TYR . 74.8 m-85 -128.92 -175.23 3.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -96.84 -35.71 10.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.5 p -133.19 167.67 19.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -68.0 -41.57 82.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -53.15 -33.54 52.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.674 ' CD1' ' CD1' ' A' ' 22' ' ' PHE . 1.1 t80 -72.42 -36.05 68.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tp -76.62 -25.55 54.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.8 mt -74.37 -46.67 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.174 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.7 pp -67.38 -14.7 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' THR . 5.4 t60 -94.42 -54.88 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.2 t -44.83 -21.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 31' ' ' HIS . 3.7 ptm85 -84.05 -35.46 23.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.2 t -55.48 -30.82 61.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -47.28 -20.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.0 p -98.2 43.08 1.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.03 -90.32 0.15 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -73.91 109.77 7.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 t -108.05 83.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.77 -64.81 1.83 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -17.71 37.16 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.706 2.271 . . . . 0.0 112.303 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 t -118.37 172.77 7.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 76.4 p -120.1 -48.88 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.496 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -77.02 112.07 13.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 t -150.07 141.03 22.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.21 127.51 9.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -56.52 153.68 9.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.376 . . . . 0.0 110.88 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 t -96.92 127.63 43.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.18 103.13 0.56 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.5 m -110.19 101.45 10.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 111.106 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.38 150.51 1.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 20.0 mtt -112.88 -52.31 2.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -85.2 134.44 40.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.532 0.682 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.589 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.83 -90.68 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.708 2.272 . . . . 0.0 112.295 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.589 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -105.66 14.78 27.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.939 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 15' ' ' CYS . 15.9 t -76.62 145.44 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' N ' HG11 ' A' ' 14' ' ' VAL . 1.8 t -74.51 113.04 11.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -72.64 2.85 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -98.58 -50.67 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.3 p -112.35 -32.81 6.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.41 10.38 21.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 2.0 tmtt? -64.1 114.04 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.21 141.82 28.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 51.8 m-85 -131.12 -174.91 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 ttm-85 -97.56 -37.96 9.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.9 p -131.66 168.86 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -70.74 -34.29 71.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -60.39 -33.4 72.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.401 ' CD1' ' HD2' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -73.87 -41.32 62.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.84 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.523 HD11 ' CE1' ' A' ' 22' ' ' PHE . 14.6 tp -72.61 -35.1 67.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.1 mt -62.25 -43.52 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.477 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 7.8 pt -70.83 -12.76 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 2.4 t60 -94.35 -53.7 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.8 m -41.89 -29.05 0.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 12.1 ptm180 -63.71 -42.17 98.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.6 t -45.4 -23.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -80.88 15.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 33' ' ' ARG . 16.6 m -94.93 -39.92 9.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.87 77.1 0.31 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 39' ' ' SER . 0.2 OUTLIER -92.83 126.05 37.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 38' ' ' GLU . 6.1 t -34.66 -60.09 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.05 170.62 23.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 162.33 42.46 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.6 p -64.94 109.63 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.5 p -104.53 166.65 10.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.478 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -87.31 42.04 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.839 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.2 p -124.02 133.78 53.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.73 75.4 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.465 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -172.69 106.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.895 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -125.78 86.06 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.15 40.46 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -158.94 122.34 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 111.171 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.0 71.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.4 mtt -138.65 115.43 10.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.835 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.91 150.56 37.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.626 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.7 -90.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.387 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.626 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -110.06 14.39 22.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.61 136.55 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.7 120.36 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -84.23 29.35 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -132.18 -42.09 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -116.2 -40.07 3.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.14 15.46 7.19 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 11.6 tptm -71.14 111.16 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.83 129.22 36.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 46.1 m-85 -118.02 178.36 4.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -91.1 -32.25 15.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.8 p -137.49 164.6 28.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -64.29 -47.46 79.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.2 m -54.86 -30.24 57.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -75.44 -30.23 59.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.551 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 5.1 tp -84.07 -35.47 23.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.8 mt -63.62 -42.94 97.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.1 pt -63.6 -18.42 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 34' ' ' THR . 1.5 t60 -94.11 -54.3 3.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.434 ' N ' ' CD2' ' A' ' 31' ' ' HIS . 42.5 m -40.65 -24.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.149 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.3 ptp180 -76.43 -41.55 47.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.9 t -49.67 -32.7 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -48.97 -18.82 0.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.3 p -116.39 39.99 2.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.95 -41.33 1.84 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.488 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -52.8 128.6 27.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -140.48 108.09 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.69 159.32 10.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 137.51 35.73 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 p -70.2 -45.11 67.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.1 m -74.59 136.5 42.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.47 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -139.96 117.86 11.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -119.98 104.78 10.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.99 70.96 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.531 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 t -55.2 -48.73 73.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.362 . . . . 0.0 110.866 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -115.2 111.72 21.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.37 164.49 12.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -169.84 145.85 3.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.7 -83.79 1.64 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.9 mtm -87.11 140.22 29.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -85.76 162.85 46.15 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.572 0.701 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.608 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.3 Cg_endo -69.82 -90.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.608 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -108.06 16.36 23.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.874 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 t -75.89 139.88 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -70.19 109.64 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -71.53 -0.59 10.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -95.41 -43.36 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 p -118.75 -33.66 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 111.02 8.01 24.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.559 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 12.0 tptm -62.5 110.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.332 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.62 128.88 36.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 26.5 m-85 -117.4 173.05 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -84.91 -30.74 24.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.0 m -136.8 174.11 10.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' N ' ' CD2' ' A' ' 13' ' ' TYR . 13.5 ttpt -74.63 -45.26 46.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.8 p -57.06 -29.39 63.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -75.76 -29.3 58.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 6.6 tp -83.75 -36.5 23.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 mt -63.28 -42.65 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.8 pt -63.01 -20.82 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' THR . 0.9 OUTLIER -93.04 -47.15 7.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 33' ' ' ARG . 5.3 t -40.81 -25.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' N ' HG22 ' A' ' 32' ' ' THR . 2.2 ptm85 -83.95 -38.93 20.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' HIS . 5.6 t -48.35 -21.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -57.68 -12.05 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.5 t -98.33 37.9 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.39 -58.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -117.71 108.29 15.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -70.5 -43.58 69.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.24 -164.92 18.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 143.12 49.79 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.381 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t -94.74 155.88 16.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.1 m -136.41 156.74 48.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.443 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -82.25 88.64 6.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 m -127.55 -48.88 1.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.64 123.64 0.68 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -83.54 42.27 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t -174.16 147.73 1.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.72 -111.14 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.451 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.4 p -96.31 -52.08 4.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.846 0.355 . . . . 0.0 111.147 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.55 149.82 5.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.4 mmt -106.89 93.16 4.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -133.36 81.07 56.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.557 0.694 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.481 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 53.2 Cg_endo -69.77 -54.27 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.363 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.503 ' CD2' ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -126.17 18.17 7.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.6 t -75.94 134.99 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -67.32 110.33 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -68.02 -5.44 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -89.06 -56.81 3.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 p -107.54 -29.9 8.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.73 1.78 30.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 5.4 tppt? -50.63 108.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.95 120.79 31.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.575 ' CD2' ' CD1' ' A' ' 27' ' ' TYR . 51.0 m-85 -112.64 178.65 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -87.44 -41.8 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.2 t -127.9 168.65 14.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.503 ' N ' ' CD2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -70.31 -37.25 74.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.6 t -56.91 -28.47 62.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.575 ' CD1' ' CD2' ' A' ' 22' ' ' PHE . 1.1 t80 -75.18 -39.25 60.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.1 tp -69.6 -29.01 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.9 mt -69.12 -39.42 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.406 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 8.1 pt -73.5 -13.02 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.5 t60 -93.97 -44.92 7.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.4 t -50.34 -19.27 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.406 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -82.7 -30.17 29.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.2 p -66.51 -25.72 66.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -55.85 -29.67 60.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.6 m -59.92 -50.51 73.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.144 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.46 56.79 0.38 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 39' ' ' SER . 22.7 pt-20 -56.25 -42.56 77.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.413 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 43.2 t -84.37 31.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.03 -162.0 12.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.9 3.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.653 2.236 . . . . 0.0 112.388 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 p 72.16 37.85 0.94 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.5 p -114.83 144.2 43.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.481 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 t -104.39 81.84 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -89.04 40.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.93 47.95 0.2 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -125.44 84.92 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -71.48 118.41 14.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.25 99.13 2.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -118.21 -54.11 2.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.842 0.353 . . . . 0.0 111.15 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.54 179.82 15.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 20.2 mtp -74.6 93.58 2.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -115.98 83.53 12.25 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.558 0.694 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.562 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.76 -90.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -101.84 18.01 21.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.954 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.5 t -75.74 134.3 29.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.85 120.61 11.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -84.52 29.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -131.89 -42.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.5 p -115.8 -40.0 3.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.38 14.98 7.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.0 tptm -70.8 111.94 6.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.92 141.18 28.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -132.78 -174.95 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.6 ttt85 -94.95 -40.11 9.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.543 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 5.0 t -132.84 177.85 7.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' LEU . 14.4 mmmt -69.99 -51.82 29.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.9 p -43.72 -27.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -80.77 -37.78 29.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' LYS . 20.7 tp -75.52 -34.11 60.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.8 mt -67.57 -48.53 76.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.512 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 2.7 pp -63.63 -18.94 23.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -94.58 -34.78 12.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.4 m -66.94 -11.9 57.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 7.3 ptt180 -80.55 -21.65 41.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.4 t -69.81 -22.45 63.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -74.77 4.84 5.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 41.44 43.84 2.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.62 53.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -45.97 135.26 7.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 t -67.66 -45.58 74.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.49 137.43 5.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -39.03 7.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.376 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m 46.06 40.77 7.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.5 p -86.5 41.61 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.483 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 t -93.16 139.07 30.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -91.74 150.54 21.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.14 -127.99 4.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.507 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.5 p -41.04 -46.43 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.83 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -129.65 148.82 51.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.82 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.87 146.78 8.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -72.22 145.59 47.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.839 0.352 . . . . 0.0 111.162 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.78 42.24 0.8 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.434 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.0 tpt -100.6 -42.09 6.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -71.35 134.82 84.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.603 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.76 -90.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.603 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -107.24 17.51 22.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 15' ' ' CYS . 15.8 t -75.52 143.64 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.067 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' N ' HG11 ' A' ' 14' ' ' VAL . 1.8 t -67.69 120.85 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -84.4 31.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -134.89 -43.97 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -113.51 -38.67 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.75 16.89 7.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.588 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 15.0 tptm -72.98 112.19 8.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.768 0.318 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.64 124.06 34.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.588 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 11.6 m-85 -113.87 167.35 10.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -78.36 -37.68 43.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -129.55 170.71 13.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HG2' ' CD1' ' A' ' 29' ' ' ILE . 22.1 ttpt -72.95 -42.96 62.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.4 m -57.1 -31.61 65.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.44 -30.36 64.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.574 HD12 ' CE1' ' A' ' 22' ' ' PHE . 10.3 tp -86.19 -34.44 20.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.408 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 18.3 mt -63.32 -36.11 74.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.422 ' C ' HD11 ' A' ' 30' ' ' ILE . 2.7 pp -77.32 -12.98 14.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -94.65 -35.32 12.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 33' ' ' ARG . 13.4 t -62.94 -23.85 67.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.409 ' N ' HG22 ' A' ' 32' ' ' THR . 12.2 ptm180 -74.96 -43.96 51.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.2 p -53.89 -30.31 45.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -46.84 -33.36 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.8 m -42.19 -43.36 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.47 -70.29 0.94 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.61 86.13 0.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -106.87 107.57 18.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -97.28 -79.94 1.5 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' SER . 53.8 Cg_endo -69.77 2.71 3.29 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.256 . . . . 0.0 112.364 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' PRO . 49.9 m 38.27 42.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.794 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.8 t -90.32 150.62 21.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.519 -179.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -69.76 153.32 43.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.844 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -171.53 135.94 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.64 -82.78 1.68 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -149.58 110.75 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.376 . . . . 0.0 110.879 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 m -123.26 122.72 39.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.47 85.58 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.7 m -49.08 -51.09 33.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 111.125 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.86 78.51 1.4 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.7 ttp -117.19 149.37 40.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -129.68 84.2 62.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.515 0.674 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.75 -55.28 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.634 2.223 . . . . 0.0 112.333 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CE1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -123.53 13.99 9.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.9 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.444 HG23 ' CB ' ' A' ' 21' ' ' ALA . 97.2 t -75.97 140.63 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.09 118.95 11.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -84.54 28.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -132.37 -36.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 p -121.28 -37.87 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.27 18.44 7.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 tptp -75.73 111.57 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.444 ' CB ' HG23 ' A' ' 14' ' ' VAL . . . -89.93 142.81 27.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -134.24 177.4 7.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.1 mtm-85 -87.76 -40.39 14.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.7 p -132.34 160.17 37.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' C ' HD11 ' A' ' 29' ' ' ILE . 23.0 pttt -58.75 -42.87 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.9 t -48.54 -38.58 20.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -68.64 -42.05 78.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -73.75 -21.8 60.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.407 HD11 ' C ' ' A' ' 25' ' ' LYS . 22.9 mt -75.13 -41.03 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.6 pt -76.73 -13.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.432 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.6 t60 -94.01 -37.56 11.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.0 t -62.57 -17.03 59.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -80.36 -24.63 39.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -67.47 -26.51 66.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -60.55 -25.51 66.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 p -114.03 38.96 2.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.54 -59.61 0.79 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' SER . 10.1 tp10 -90.45 -56.73 3.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' GLU . 40.8 m -38.53 145.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.94 -86.6 0.86 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 122.42 9.09 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.701 2.268 . . . . 0.0 112.36 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.4 p -43.01 -46.19 5.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m -39.84 157.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.499 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 t -133.43 135.68 44.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.855 0.359 . . . . 0.0 110.888 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -121.52 173.78 7.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.16 80.81 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.531 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 p -41.9 116.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.83 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.6 p -54.42 107.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.15 124.54 28.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.7 p -91.83 42.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.36 111.09 1.1 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.8 tpt -96.84 135.17 39.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.379 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HG2' ' CB ' ' A' ' 14' ' ' VAL . 27.5 mtmt -118.89 82.54 21.1 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.606 0.717 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.458 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.74 -54.6 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.315 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.458 ' CE1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -124.92 21.18 8.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 15' ' ' CYS . 70.4 t -75.52 142.96 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.128 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 19' ' ' GLY . 2.9 t -75.02 106.38 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -66.49 -4.32 8.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -89.46 -49.14 6.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -116.21 -33.35 5.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.15 6.41 22.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 1.7 tmtt? -59.96 112.88 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.03 134.51 34.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 20.5 m-85 -122.45 177.69 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.39 -27.68 18.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -145.59 165.26 29.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -66.19 -45.86 79.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.4 t -56.69 -17.54 9.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -88.8 -31.14 18.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.569 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.5 tp -86.53 -31.69 21.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.0 mt -60.71 -39.98 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.463 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 6.8 pt -71.95 -15.13 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.564 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -94.06 -45.44 7.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 85.0 m -47.27 -40.57 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.124 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.504 ' O ' ' CG2' ' A' ' 36' ' ' THR . 15.8 ptp180 -53.52 -38.03 63.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.2 p -53.69 -22.67 9.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -82.01 16.4 1.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 33' ' ' ARG . 9.2 t -92.19 -27.59 17.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.84 121.12 1.23 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -143.75 166.64 24.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.5 p -40.37 -51.47 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.53 -98.75 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 178.5 4.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.645 2.23 . . . . 0.0 112.342 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.8 m -128.09 -44.06 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.8 m -89.42 -54.29 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.499 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -94.01 -60.16 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 0.0 110.84 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 48.63 41.94 18.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.49 -178.62 16.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.515 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 t -88.29 128.14 35.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -53.47 105.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.54 -178.04 19.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.449 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.6 m -143.18 144.43 32.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 0.0 111.157 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 10' ' ' MET . . . -136.48 -85.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' GLY . 87.7 mtp -37.91 123.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -88.04 142.37 31.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.605 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.75 -90.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.605 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -107.68 5.22 26.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 15' ' ' CYS . 69.9 t -75.52 137.89 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' N ' HG13 ' A' ' 14' ' ' VAL . 1.8 t -65.97 122.12 16.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -84.54 27.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -130.05 -43.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -116.15 -37.84 3.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.24 9.9 14.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 1.3 tmtt? -65.98 114.1 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.64 146.89 24.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CE1' HD11 ' A' ' 28' ' ' LEU . 38.6 m-85 -134.88 -174.85 3.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 24' ' ' SER . 3.5 ptp180 -105.11 -32.23 8.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.465 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 49.1 m -128.2 157.7 40.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.0 ttpp -68.44 -30.36 69.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.1 t -68.8 -24.61 64.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.409 ' CD1' ' HD2' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -78.9 -34.4 44.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' A' ' 22' ' ' PHE . 15.4 tp -77.56 -39.93 44.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.9 mt -59.29 -45.51 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.8 pp -69.36 -11.79 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.417 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 2.4 t60 -94.09 -49.21 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.2 m -49.14 -20.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -83.6 -30.52 26.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 35' ' ' HIS . 2.2 t -59.53 -29.59 68.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.429 ' N ' HG22 ' A' ' 34' ' ' THR . 46.7 m-70 -54.44 -14.76 1.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.3 p -82.77 41.36 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.13 -48.93 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.474 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -60.76 -57.42 12.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 m -80.94 -58.95 2.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.92 126.39 7.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.534 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 98.45 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.8 t -160.94 147.0 14.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.811 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 t -105.67 -60.06 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.076 -0.847 . . . . 0.0 112.512 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -93.58 152.23 19.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -89.16 -48.58 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.01 -110.99 3.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.448 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -127.79 149.93 50.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 t -98.47 42.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.79 -62.57 0.5 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.7 p -39.34 104.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 111.124 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' MET . . . -100.45 76.58 0.43 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 9' ' ' GLY . 9.6 ttp -35.63 104.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.474 ' CG ' ' HB ' ' A' ' 14' ' ' VAL . 3.0 ptpt -100.55 153.82 37.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.56 0.695 . . . . 0.0 110.913 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.617 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.83 -90.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.25 . . . . 0.0 112.33 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.617 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -109.12 21.85 16.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.474 ' HB ' ' CG ' ' A' ' 11' ' ' LYS . 60.0 t -75.63 129.43 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.67 123.74 13.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -87.96 28.51 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -132.24 -42.42 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -115.29 -35.28 4.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.43 21.56 7.55 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.45 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 2.6 tmtt? -75.12 111.77 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.961 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.44 131.38 35.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 22.4 m-85 -123.72 -179.07 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -87.7 -41.13 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.1 p -129.73 -177.19 4.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.404 ' N ' ' CD2' ' A' ' 13' ' ' TYR . 17.4 pttm -78.69 -41.08 32.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 3.6 p -53.68 -27.8 29.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -77.23 -37.29 53.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 tp -74.95 -38.19 61.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.1 mt -64.41 -50.92 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.7 pp -65.48 -11.93 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' THR . 1.6 t60 -94.24 -53.36 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.411 ' N ' ' CD2' ' A' ' 31' ' ' HIS . 88.9 m -40.4 -31.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -69.88 -41.47 74.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 31' ' ' HIS . 60.7 p -49.08 -31.12 7.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -46.25 -33.53 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.4 p -50.07 -59.38 3.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.68 73.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -103.65 94.82 5.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.936 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -109.6 88.02 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.22 76.4 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -41.4 4.34 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.716 2.278 . . . . 0.0 112.334 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.2 t 66.6 42.27 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.5 m -100.07 -49.62 4.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.513 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 3' ' ' SER . 6.8 t -113.65 94.04 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.399 . . . . 0.0 110.844 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 2' ' ' SER . 24.4 t -35.01 -49.65 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.917 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.67 -159.5 52.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -117.2 80.76 1.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.367 . . . . 0.0 110.82 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -119.63 95.48 4.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.72 40.76 3.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.4 p -81.49 -43.1 19.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.36 . . . . 0.0 111.205 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.17 169.87 25.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.3 mtt -91.11 90.8 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -111.05 121.35 40.93 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.568 0.699 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.587 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.76 -90.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.368 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.587 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -104.83 18.83 21.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 15' ' ' CYS . 87.3 t -75.14 142.79 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.9 t -76.48 108.85 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -66.24 -5.67 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -90.06 -58.18 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.6 p -105.49 -27.71 11.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 106.04 1.14 38.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.506 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.3 tppt? -52.46 112.65 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.74 123.6 37.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 15.3 m-85 -113.74 179.22 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.461 ' HD2' ' CB ' ' A' ' 24' ' ' SER . 2.3 ppt_? -94.17 -27.1 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.461 ' CB ' ' HD2' ' A' ' 23' ' ' ARG . 2.0 m -141.33 169.18 18.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -69.98 -42.51 73.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -57.39 -32.04 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -75.91 -29.48 58.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.563 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 10.4 tp -85.88 -30.21 23.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.7 mt -68.15 -35.35 71.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.3 pt -70.04 -18.65 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.503 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -94.29 -39.91 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 33' ' ' ARG . 4.9 t -55.45 -28.63 55.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.461 ' N ' HG22 ' A' ' 32' ' ' THR . 9.3 ptm180 -73.45 -31.91 64.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.7 p -64.69 -24.8 67.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 36' ' ' THR . 18.7 m-70 -59.84 -25.57 65.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' HIS . 30.4 p 35.25 43.1 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.94 123.28 5.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -121.17 113.38 19.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 m -73.99 128.0 34.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.87 160.02 33.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -1.37 8.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.63 2.22 . . . . 0.0 112.396 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.1 t -63.89 95.7 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 m -48.25 -47.13 36.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.118 -0.824 . . . . 0.0 112.495 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 m 61.45 42.09 11.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 110.871 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -152.02 128.49 10.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.42 84.28 0.17 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -146.96 116.53 7.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -155.38 135.04 12.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.43 174.72 13.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.552 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.469 HG21 ' N ' ' A' ' 9' ' ' GLY . 22.2 m -121.78 145.45 48.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.353 . . . . 0.0 111.122 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.469 ' N ' HG21 ' A' ' 8' ' ' THR . . . 106.24 154.05 20.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.502 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 18.2 ptp -122.46 131.15 53.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.81 137.1 10.33 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.722 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.621 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.76 -90.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.684 2.256 . . . . 0.0 112.37 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.621 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -109.72 19.75 18.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.6 t -75.53 134.27 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.37 117.95 6.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -79.58 12.49 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -111.08 -45.7 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.7 p -115.88 -31.98 5.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.82 3.86 28.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.8 tppt? -55.57 107.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.01 123.01 33.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 14.1 m-85 -116.33 176.96 4.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -87.25 -39.26 15.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.8 m -134.86 149.73 50.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.527 ' N ' ' CD2' ' A' ' 13' ' ' TYR . 31.5 ttpt -47.62 -43.9 26.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -45.28 -39.46 6.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -71.81 -31.07 66.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -78.96 -30.87 44.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.2 mt -71.65 -43.56 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.58 -14.1 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 34' ' ' THR . 2.3 t60 -94.44 -54.54 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 33' ' ' ARG . 11.9 t -40.22 -26.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.438 ' N ' HG22 ' A' ' 32' ' ' THR . 17.5 ptp180 -75.43 -41.39 56.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.2 p -50.01 -31.74 13.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -45.84 -34.05 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.9 p -84.56 45.03 1.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.67 55.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -104.29 -42.9 5.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -155.89 119.25 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.04 -91.89 0.44 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.446 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 85.23 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.24 . . . . 0.0 112.326 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.8 t -129.81 159.89 35.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.8 t -56.04 149.16 16.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.502 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.581 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.968 0.413 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 t -76.8 145.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -75.15 107.03 6.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -67.47 -3.07 7.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -91.97 -47.64 7.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.5 p -115.43 -33.63 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 111.55 7.58 23.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.441 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 2.4 tmtm? -62.23 112.85 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.52 137.0 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.547 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 27.8 m-85 -127.39 -174.84 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -98.34 -37.18 9.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.7 m -129.39 156.96 43.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -62.58 -31.26 72.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.453 ' O ' HG23 ' A' ' 30' ' ' ILE . 76.7 p -62.36 -32.35 73.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -74.41 -32.94 62.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.581 HD22 ' O ' ' A' ' 13' ' ' TYR . 16.5 tp -78.76 -32.83 46.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.0 mt -67.75 -46.05 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 26' ' ' SER . 6.0 pt -69.9 -13.69 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.457 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.5 t60 -93.97 -50.87 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 -179.892 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.932 0.396 . . . . 0.0 110.918 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 t -75.84 138.65 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.14 119.87 13.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -83.25 20.46 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -122.72 -38.52 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -120.29 -33.67 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.04 13.98 18.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -69.47 111.64 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.72 143.94 26.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -134.05 177.98 7.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.1 ttp85 -94.41 -34.66 12.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 m -128.02 168.49 15.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -71.25 -45.73 62.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 30' ' ' ILE . 78.7 p -53.95 -27.49 31.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -72.09 -39.22 69.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.6 tp -74.29 -28.6 61.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 26' ' ' SER . 39.6 mt -70.5 -44.54 76.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 26' ' ' SER . 6.2 pt -67.34 -17.04 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -94.12 -56.54 2.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.8 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.991 0.424 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.8 t -78.55 140.39 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.589 ' HG ' ' CD ' ' A' ' 17' ' ' GLU . 1.8 t -70.27 110.26 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -66.69 -2.4 4.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.589 ' CD ' ' HG ' ' A' ' 15' ' ' CYS . 1.9 mp0 -98.05 -63.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -95.11 -23.78 17.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 94.86 13.0 54.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.58 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 7.3 tptm -64.8 113.46 3.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.54 129.63 35.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 15.5 m-85 -117.46 -178.76 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -93.88 -36.58 12.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.1 m -131.52 164.53 25.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -68.07 -37.27 81.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.412 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 47.6 t -66.86 -19.08 65.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -83.59 -28.57 28.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.569 HD22 ' O ' ' A' ' 13' ' ' TYR . 3.9 tp -85.07 -35.63 21.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.77 ' O ' HG22 ' A' ' 32' ' ' THR . 21.5 mt -61.99 -39.39 83.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.7 pt -68.12 -19.46 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.14 -41.67 9.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.77 HG22 ' O ' ' A' ' 29' ' ' ILE . 5.5 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.422 ' CD2' ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 t -75.89 144.71 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.31 121.22 15.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -84.64 29.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -132.84 -39.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -119.46 -34.91 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.27 22.0 7.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -74.22 111.3 9.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.89 130.87 36.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 27' ' ' TYR . 63.0 m-85 -123.25 178.29 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 24' ' ' SER . 2.6 ptm180 -90.45 -27.97 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.443 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 33.0 t -145.84 158.53 43.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' N ' ' CD2' ' A' ' 13' ' ' TYR . 12.3 ttpt -55.87 -41.76 74.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.574 ' HA ' HD12 ' A' ' 29' ' ' ILE . 5.3 t -49.4 -40.09 34.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.419 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 4.4 m-85 -70.37 -28.59 65.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -83.46 -27.5 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' A' ' 26' ' ' SER . 18.6 mt -75.21 -36.15 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.418 ' C ' HD12 ' A' ' 30' ' ' ILE . 2.8 pp -76.98 -17.85 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -94.17 -49.23 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 -179.921 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.791 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.978 0.418 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.8 t -75.8 141.25 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.12 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.61 121.89 15.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -83.66 22.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -124.91 -46.11 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -113.02 -33.36 6.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.7 17.38 11.24 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.45 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.559 ' HE3' ' CE2' ' A' ' 22' ' ' PHE . 2.1 tmtt? -70.64 113.17 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.766 0.317 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.24 135.56 33.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CE2' ' HE3' ' A' ' 20' ' ' LYS . 25.7 m-85 -125.52 -179.46 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -93.81 -35.23 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.3 p -137.52 155.78 48.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' CD ' HD11 ' A' ' 29' ' ' ILE . 14.3 ttmm -56.97 -45.0 83.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -55.9 -25.07 41.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -81.34 -32.59 32.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.956 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.791 HD22 ' O ' ' A' ' 13' ' ' TYR . 12.2 tp -80.4 -39.78 27.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.436 HD11 ' CD ' ' A' ' 25' ' ' LYS . 32.6 mt -57.1 -45.35 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.5 pt -63.89 -15.64 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -94.16 -48.08 6.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.0 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.6 t -75.85 146.15 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -77.27 108.33 10.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -67.2 -4.51 10.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -90.77 -52.34 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.2 p -110.78 -31.16 7.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 107.34 14.57 17.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -66.83 112.94 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.19 129.32 36.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -119.87 175.61 5.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -90.28 -35.05 15.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 m -126.51 168.18 14.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HE2' HD11 ' A' ' 29' ' ' ILE . 5.1 ttpm? -71.25 -44.19 65.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 29' ' ' ILE . 7.9 t -54.66 -32.64 59.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -68.35 -33.0 73.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -78.46 -33.2 48.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 26' ' ' SER . 23.5 mt -69.68 -44.32 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.8 pp -67.02 -17.44 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -94.41 -55.52 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.0 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 -179.943 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.525 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.98 0.419 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' A' ' 21' ' ' ALA . 57.9 t -75.8 143.77 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.154 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.0 119.15 12.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -84.23 29.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -133.58 -38.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -119.11 -38.81 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.86 20.34 6.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HE3' ' CE2' ' A' ' 22' ' ' PHE . 1.4 tmtt? -77.57 112.01 13.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -89.2 139.71 30.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CE2' ' HE3' ' A' ' 20' ' ' LYS . 34.4 m-85 -128.14 -179.68 5.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.66 -39.21 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.7 p -123.12 171.08 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.582 ' HG2' HD11 ' A' ' 29' ' ' ILE . 14.4 ttmt -75.37 -34.0 61.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.556 ' HA ' HD12 ' A' ' 29' ' ' ILE . 34.8 t -62.89 -33.87 76.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -66.2 -35.25 79.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.525 HD22 ' O ' ' A' ' 13' ' ' TYR . 23.3 tp -78.52 -29.48 46.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.582 HD11 ' HG2' ' A' ' 25' ' ' LYS . 42.1 mt -70.67 -38.8 74.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.5 pt -76.14 -16.61 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.52 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -94.78 -40.98 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 -179.896 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.928 0.394 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.7 t -75.65 133.23 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.68 118.55 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -83.33 20.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -121.84 -38.02 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -121.28 -33.86 3.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.98 18.24 10.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -72.34 111.3 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.327 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.51 137.51 32.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.674 ' CD1' ' CD1' ' A' ' 27' ' ' TYR . 74.8 m-85 -128.92 -175.23 3.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -96.84 -35.71 10.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.5 p -133.19 167.67 19.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -68.0 -41.57 82.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.508 ' HA ' HD12 ' A' ' 29' ' ' ILE . 1.4 t -53.15 -33.54 52.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.674 ' CD1' ' CD1' ' A' ' 22' ' ' PHE . 1.1 t80 -72.42 -36.05 68.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tp -76.62 -25.55 54.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 26' ' ' SER . 35.8 mt -74.37 -46.67 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.174 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.5 ' C ' HD12 ' A' ' 30' ' ' ILE . 2.7 pp -67.38 -14.7 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -94.42 -54.88 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 29' ' ' ILE . 6.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.712 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.91 0.386 . . . . 0.0 110.939 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 t -76.62 145.44 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.51 113.04 11.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -72.64 2.85 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -98.58 -50.67 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.3 p -112.35 -32.81 6.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.41 10.38 21.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 2.0 tmtt? -64.1 114.04 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.21 141.82 28.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 51.8 m-85 -131.12 -174.91 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 ttm-85 -97.56 -37.96 9.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.9 p -131.66 168.86 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -70.74 -34.29 71.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 30' ' ' ILE . 1.2 t -60.39 -33.4 72.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.403 ' CD1' ' HD2' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -73.87 -41.32 62.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.84 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.712 HD22 ' O ' ' A' ' 13' ' ' TYR . 14.6 tp -72.61 -35.1 67.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.1 mt -62.25 -43.52 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 26' ' ' SER . 7.8 pt -70.83 -12.76 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 2.4 t60 -94.35 -53.7 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.923 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.618 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.922 0.391 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.61 136.55 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.7 120.36 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -84.23 29.35 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -132.18 -42.09 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -116.2 -40.07 3.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.14 15.46 7.19 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 11.6 tptm -71.14 111.16 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.83 129.22 36.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 46.1 m-85 -118.02 178.36 4.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -91.1 -32.25 15.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.8 p -137.49 164.6 28.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -64.29 -47.46 79.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.429 ' HA ' HD12 ' A' ' 29' ' ' ILE . 22.2 m -54.86 -30.24 57.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -75.44 -30.23 59.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.618 HD22 ' O ' ' A' ' 13' ' ' TYR . 5.1 tp -84.07 -35.47 23.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 26' ' ' SER . 19.8 mt -63.62 -42.94 97.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.1 pt -63.6 -18.42 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -94.11 -54.3 3.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 42.5 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.149 -179.941 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.919 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.912 0.387 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 t -75.89 139.88 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -70.19 109.64 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -71.53 -0.59 10.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -95.41 -43.36 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 p -118.75 -33.66 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 111.02 8.01 24.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.58 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 12.0 tptm -62.5 110.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.332 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.62 128.88 36.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 26.5 m-85 -117.4 173.05 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -84.91 -30.74 24.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.0 m -136.8 174.11 10.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' HG2' HD11 ' A' ' 29' ' ' ILE . 13.5 ttpt -74.63 -45.26 46.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 30' ' ' ILE . 24.8 p -57.06 -29.39 63.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -75.76 -29.3 58.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.919 HD22 ' O ' ' A' ' 13' ' ' TYR . 6.6 tp -83.75 -36.5 23.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.816 ' O ' HG22 ' A' ' 32' ' ' THR . 20.7 mt -63.28 -42.65 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 26' ' ' SER . 8.8 pt -63.01 -20.82 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.04 -47.15 7.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.816 HG22 ' O ' ' A' ' 29' ' ' ILE . 5.3 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.503 ' CD2' ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.929 0.395 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 19' ' ' GLY . 94.6 t -75.94 134.99 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -67.32 110.33 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -68.02 -5.44 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -89.06 -56.81 3.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 p -107.54 -29.9 8.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.73 1.78 30.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.473 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 5.4 tppt? -50.63 108.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.405 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -89.95 120.79 31.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.575 ' CD2' ' CD1' ' A' ' 27' ' ' TYR . 51.0 m-85 -112.64 178.65 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -87.44 -41.8 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.2 t -127.9 168.65 14.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.779 ' CE ' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -70.31 -37.25 74.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.848 ' HA ' HD12 ' A' ' 29' ' ' ILE . 10.6 t -56.91 -28.47 62.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.575 ' CD1' ' CD2' ' A' ' 22' ' ' PHE . 1.1 t80 -75.18 -39.25 60.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.1 tp -69.6 -29.01 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 26' ' ' SER . 26.9 mt -69.12 -39.42 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.1 pt -73.5 -13.02 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.5 t60 -93.97 -44.92 7.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 29' ' ' ILE . 13.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.554 ' CE2' ' HA ' ' A' ' 24' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.939 0.4 . . . . 0.0 110.954 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.5 t -75.74 134.3 29.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.85 120.61 11.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -84.52 29.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -131.89 -42.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.5 p -115.8 -40.0 3.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.38 14.98 7.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.0 tptm -70.8 111.94 6.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.92 141.18 28.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -132.78 -174.95 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.6 ttt85 -94.95 -40.11 9.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.554 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 5.0 t -132.84 177.85 7.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' LEU . 14.4 mmmt -69.99 -51.82 29.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.9 p -43.72 -27.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -80.77 -37.78 29.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' LYS . 20.7 tp -75.52 -34.11 60.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.8 mt -67.57 -48.53 76.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.7 pp -63.63 -18.94 23.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -94.58 -34.78 12.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.427 ' O ' HG22 ' A' ' 32' ' ' THR . 41.4 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.864 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.93 0.395 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 t -75.52 143.64 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.067 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.69 120.85 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -84.4 31.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -134.89 -43.97 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -113.51 -38.67 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.75 16.89 7.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.605 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 15.0 tptm -72.98 112.19 8.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.768 0.318 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.64 124.06 34.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.605 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 11.6 m-85 -113.87 167.35 10.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -78.36 -37.68 43.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -129.55 170.71 13.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.781 ' HG2' HD11 ' A' ' 29' ' ' ILE . 22.1 ttpt -72.95 -42.96 62.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.652 ' HA ' HD12 ' A' ' 29' ' ' ILE . 16.4 m -57.1 -31.61 65.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.44 -30.36 64.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.864 HD22 ' O ' ' A' ' 13' ' ' TYR . 10.3 tp -86.19 -34.44 20.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.781 HD11 ' HG2' ' A' ' 25' ' ' LYS . 18.3 mt -63.32 -36.11 74.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.7 pp -77.32 -12.98 14.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -94.65 -35.32 12.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 29' ' ' ILE . 13.4 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.639 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.902 0.382 . . . . 0.0 110.942 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.456 HG22 ' CB ' ' A' ' 21' ' ' ALA . 97.2 t -75.97 140.63 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.09 118.95 11.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -84.54 28.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -132.37 -36.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 p -121.28 -37.87 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.27 18.44 7.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 tptp -75.73 111.57 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -89.93 142.81 27.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -134.24 177.4 7.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.1 mtm-85 -87.76 -40.39 14.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.7 p -132.34 160.17 37.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -58.75 -42.87 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.752 ' HA ' HD12 ' A' ' 29' ' ' ILE . 47.9 t -48.54 -38.58 20.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -68.64 -42.05 78.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.639 HD22 ' O ' ' A' ' 13' ' ' TYR . 15.1 tp -73.75 -21.8 60.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 26' ' ' SER . 22.9 mt -75.13 -41.03 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.6 pt -76.73 -13.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.432 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.6 t60 -94.01 -37.56 11.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 29' ' ' ILE . 13.0 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.735 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.981 0.419 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.416 HG22 ' CB ' ' A' ' 21' ' ' ALA . 70.4 t -75.52 142.96 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.128 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' GLY . 2.9 t -75.02 106.38 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -66.49 -4.32 8.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -89.46 -49.14 6.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -116.21 -33.35 5.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.15 6.41 22.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 1.7 tmtt? -59.96 112.88 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.416 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -90.03 134.51 34.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 20.5 m-85 -122.45 177.69 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.39 -27.68 18.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -145.59 165.26 29.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -66.19 -45.86 79.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.648 ' HA ' HD12 ' A' ' 29' ' ' ILE . 26.4 t -56.69 -17.54 9.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -88.8 -31.14 18.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.735 HD22 ' O ' ' A' ' 13' ' ' TYR . 7.5 tp -86.53 -31.69 21.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 26' ' ' SER . 20.0 mt -60.71 -39.98 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.8 pt -71.95 -15.13 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.456 ' CD2' ' HZ ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -94.06 -45.44 7.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 85.0 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.124 -179.895 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.546 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.91 0.386 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.42 HG22 ' CB ' ' A' ' 21' ' ' ALA . 69.9 t -75.52 137.89 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -65.97 122.12 16.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -84.54 27.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -130.05 -43.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -116.15 -37.84 3.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.24 9.9 14.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 1.3 tmtt? -65.98 114.1 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -89.64 146.89 24.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.096 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 38.6 m-85 -134.88 -174.85 3.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 24' ' ' SER . 3.5 ptp180 -105.11 -32.23 8.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 49.1 m -128.2 157.7 40.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.0 ttpp -68.44 -30.36 69.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.414 ' HA ' HD12 ' A' ' 29' ' ' ILE . 40.1 t -68.8 -24.61 64.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.411 ' CD1' ' HD2' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -78.9 -34.4 44.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.546 HD22 ' O ' ' A' ' 13' ' ' TYR . 15.4 tp -77.56 -39.93 44.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 26' ' ' SER . 23.9 mt -59.29 -45.51 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.542 ' C ' HD12 ' A' ' 30' ' ' ILE . 2.8 pp -69.36 -11.79 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.417 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 2.4 t60 -94.09 -49.21 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.2 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.901 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.954 0.407 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.0 t -75.63 129.43 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.477 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -53.67 123.74 13.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -87.96 28.51 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -132.24 -42.42 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -115.29 -35.28 4.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.43 21.56 7.55 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.45 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.551 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 2.6 tmtt? -75.12 111.77 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.961 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.44 131.38 35.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 22.4 m-85 -123.72 -179.07 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -87.7 -41.13 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.1 p -129.73 -177.19 4.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 26' ' ' SER . 17.4 pttm -78.69 -41.08 32.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 3.6 p -53.68 -27.8 29.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -77.23 -37.29 53.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' A' ' 15' ' ' CYS . 20.1 tp -74.95 -38.19 61.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.1 mt -64.41 -50.92 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.438 ' C ' HD12 ' A' ' 30' ' ' ILE . 2.7 pp -65.48 -11.93 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.418 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.6 t60 -94.24 -53.36 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.411 ' N ' ' CD2' ' A' ' 31' ' ' HIS . 88.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.834 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.925 0.393 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' A' ' 21' ' ' ALA . 87.3 t -75.14 142.79 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.9 t -76.48 108.85 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -66.24 -5.67 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -90.06 -58.18 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.6 p -105.49 -27.71 11.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 106.04 1.14 38.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.506 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.486 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.3 tppt? -52.46 112.65 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -93.74 123.6 37.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.557 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 15.3 m-85 -113.74 179.22 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.461 ' HD2' ' CB ' ' A' ' 24' ' ' SER . 2.3 ppt_? -94.17 -27.1 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.461 ' CB ' ' HD2' ' A' ' 23' ' ' ARG . 2.0 m -141.33 169.18 18.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -69.98 -42.51 73.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 30' ' ' ILE . 4.3 m -57.39 -32.04 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -75.91 -29.48 58.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.834 HD22 ' O ' ' A' ' 13' ' ' TYR . 10.4 tp -85.88 -30.21 23.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.652 ' O ' HG22 ' A' ' 32' ' ' THR . 19.7 mt -68.15 -35.35 71.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.474 HG23 ' O ' ' A' ' 26' ' ' SER . 7.3 pt -70.04 -18.65 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.503 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -94.29 -39.91 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 29' ' ' ILE . 4.9 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.527 ' CD2' ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.92 0.39 . . . . 0.0 110.937 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.4 HG22 ' CB ' ' A' ' 21' ' ' ALA . 59.6 t -75.53 134.27 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.37 117.95 6.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -79.58 12.49 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -111.08 -45.7 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.7 p -115.88 -31.98 5.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.82 3.86 28.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.8 tppt? -55.57 107.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.4 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -90.01 123.01 33.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 14.1 m-85 -116.33 176.96 4.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -87.25 -39.26 15.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.8 m -134.86 149.73 50.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.527 ' N ' ' CD2' ' A' ' 13' ' ' TYR . 31.5 ttpt -47.62 -43.9 26.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.434 ' HA ' HD12 ' A' ' 29' ' ' ILE . 1.1 t -45.28 -39.46 6.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -71.81 -31.07 66.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -78.96 -30.87 44.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.544 ' O ' HG22 ' A' ' 32' ' ' THR . 21.2 mt -71.65 -43.56 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.494 ' C ' HD12 ' A' ' 30' ' ' ILE . 2.7 pp -70.58 -14.1 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -94.44 -54.54 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 29' ' ' ILE . 11.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 t -172.37 150.88 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -129.01 108.65 10.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.66 -52.35 0.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t 62.17 42.25 9.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -104.35 162.95 12.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.95 -140.26 5.97 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 8' ' ' THR . 15.1 t -89.1 42.21 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 111.168 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.12 177.77 42.63 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.2 mmm -81.34 -58.32 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.657 ' HD3' HG11 ' A' ' 14' ' ' VAL . 6.7 mttm -103.29 162.06 21.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.547 0.689 . . . . 0.0 110.94 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.604 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.77 -90.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.604 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -106.19 19.05 21.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.657 HG11 ' HD3' ' A' ' 11' ' ' LYS . 14.1 t -76.8 145.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -75.15 107.03 6.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -67.47 -3.07 7.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -91.97 -47.64 7.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.5 p -115.43 -33.63 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 111.55 7.58 23.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.441 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 2.4 tmtm? -62.23 112.85 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.52 137.0 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.547 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 27.8 m-85 -127.39 -174.84 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -98.34 -37.18 9.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.7 m -129.39 156.96 43.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -62.58 -31.26 72.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.453 ' O ' HG23 ' A' ' 30' ' ' ILE . 76.7 p -62.36 -32.35 73.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -74.41 -32.94 62.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.581 HD22 ' O ' ' A' ' 13' ' ' TYR . 16.5 tp -78.76 -32.83 46.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.0 mt -67.75 -46.05 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 26' ' ' SER . 6.0 pt -69.9 -13.69 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.628 ' O ' HG22 ' A' ' 34' ' ' THR . 1.5 t60 -93.97 -50.87 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 m -45.75 -21.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 12.4 ptm180 -78.5 -38.05 41.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.628 HG22 ' O ' ' A' ' 31' ' ' HIS . 2.6 t -50.56 -33.98 23.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -47.31 -19.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.4 p -82.32 39.36 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.31 41.57 2.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -105.99 -46.64 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -49.68 -58.86 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -40.8 -88.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 141.47 45.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.338 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.3 t -162.32 176.27 10.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.1 t -128.96 153.52 47.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.488 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 m -141.68 159.9 41.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -129.71 154.06 47.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.43 172.18 24.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -107.85 -48.99 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -127.28 43.25 3.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.65 100.91 0.23 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.8 m -114.14 81.09 1.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 111.148 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.19 113.03 4.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 52.0 mtm -133.64 151.11 51.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -128.05 152.82 78.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.557 0.694 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.603 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.3 Cg_endo -69.75 -90.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.281 . . . . 0.0 112.311 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.603 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -106.58 5.33 28.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 t -75.84 138.65 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.14 119.87 13.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -83.25 20.46 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -122.72 -38.52 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -120.29 -33.67 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.04 13.98 18.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -69.47 111.64 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.72 143.94 26.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -134.05 177.98 7.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.1 ttp85 -94.41 -34.66 12.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 m -128.02 168.49 15.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -71.25 -45.73 62.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 30' ' ' ILE . 78.7 p -53.95 -27.49 31.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -72.09 -39.22 69.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.6 tp -74.29 -28.6 61.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 26' ' ' SER . 39.6 mt -70.5 -44.54 76.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 26' ' ' SER . 6.2 pt -67.34 -17.04 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.583 ' O ' HG22 ' A' ' 34' ' ' THR . 4.9 t60 -94.12 -56.54 2.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.8 m -39.36 -25.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 31' ' ' HIS . 13.6 ptm180 -81.0 -41.26 22.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 31' ' ' HIS . 1.6 t -47.99 -30.21 4.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -48.9 -18.85 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.5 m -58.32 -41.49 84.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.91 93.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -116.88 142.24 47.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.379 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.8 t 52.51 44.01 30.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.36 166.22 45.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 2.83 3.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.6 p 53.98 43.06 31.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.3 t -102.74 -45.75 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.501 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 1' ' ' GLY . 7.1 m -37.09 -44.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.829 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 p -59.78 108.29 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.17 90.28 0.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -110.76 108.38 18.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -110.67 -49.43 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.66 57.99 2.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.1 p -109.42 -37.59 5.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.832 0.349 . . . . 0.0 111.175 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.5 42.19 1.98 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -88.83 80.57 7.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -134.77 73.78 66.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.572 0.701 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.519 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.68 -54.25 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.336 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -117.25 15.15 14.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.8 t -78.55 140.39 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 1.8 t -70.27 110.26 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -66.69 -2.4 4.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' CD ' ' SG ' ' A' ' 15' ' ' CYS . 1.9 mp0 -98.05 -63.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -95.11 -23.78 17.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 94.86 13.0 54.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.58 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 7.3 tptm -64.8 113.46 3.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.54 129.63 35.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 15.5 m-85 -117.46 -178.76 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -93.88 -36.58 12.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.1 m -131.52 164.53 25.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -68.07 -37.27 81.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.412 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 47.6 t -66.86 -19.08 65.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -83.59 -28.57 28.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.569 HD22 ' O ' ' A' ' 13' ' ' TYR . 3.9 tp -85.07 -35.63 21.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.77 ' O ' HG22 ' A' ' 32' ' ' THR . 21.5 mt -61.99 -39.39 83.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.488 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 5.7 pt -68.12 -19.46 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.508 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -94.14 -41.67 9.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.77 HG22 ' O ' ' A' ' 29' ' ' ILE . 5.5 t -48.44 -22.35 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.488 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 5.5 ptm180 -74.0 -34.34 64.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.8 p -55.78 -14.74 2.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -84.86 15.77 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.2 t -77.07 -31.08 55.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -50.48 -53.92 22.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.32 -59.91 4.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.7 p -76.17 179.32 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.813 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.62 75.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 126.73 13.65 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.3 p -114.05 159.37 20.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.3 t 55.83 42.95 28.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.505 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 p -147.54 141.22 25.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 m -53.38 129.57 32.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.66 165.97 27.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 m -45.51 131.54 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -115.86 -45.21 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.78 77.37 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 p -45.82 -36.76 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.92 88.34 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.1 mtt -114.16 39.89 2.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.896 0.379 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -94.57 142.43 24.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.573 0.702 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.624 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.72 -90.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.729 2.286 . . . . 0.0 112.302 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.624 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -108.94 18.56 20.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 t -75.89 144.71 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.31 121.22 15.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -84.64 29.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -132.84 -39.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -119.46 -34.91 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.27 22.0 7.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -74.22 111.3 9.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.89 130.87 36.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 27' ' ' TYR . 63.0 m-85 -123.25 178.29 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 24' ' ' SER . 2.6 ptm180 -90.45 -27.97 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.443 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 33.0 t -145.84 158.53 43.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' N ' ' CD2' ' A' ' 13' ' ' TYR . 12.3 ttpt -55.87 -41.76 74.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.574 ' HA ' HD12 ' A' ' 29' ' ' ILE . 5.3 t -49.4 -40.09 34.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.419 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 4.4 m-85 -70.37 -28.59 65.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -83.46 -27.5 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' A' ' 26' ' ' SER . 18.6 mt -75.21 -36.15 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.428 ' HA ' ' CD ' ' A' ' 33' ' ' ARG . 2.8 pp -76.98 -17.85 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -94.17 -49.23 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 t -47.26 -27.95 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.428 ' CD ' ' HA ' ' A' ' 30' ' ' ILE . 6.2 ptm180 -76.07 -44.58 38.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.7 p -47.71 -33.49 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 36' ' ' THR . 20.0 m-70 -48.05 -32.46 6.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 35' ' ' HIS . 29.1 p 34.17 39.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.96 58.76 12.09 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -105.2 -40.17 5.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.5 p -72.12 -27.99 62.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.09 148.37 24.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 92.93 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.334 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.1 p -92.95 43.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 t 65.43 42.55 3.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.197 -0.78 . . . . 0.0 112.452 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.9 p -53.28 -50.67 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 110.845 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m -116.22 143.39 45.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.45 40.76 7.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.1 p -111.76 -46.61 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -63.45 87.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.66 82.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 9' ' ' GLY . 6.8 t -46.05 -41.88 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 111.153 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.404 ' N ' HG23 ' A' ' 8' ' ' THR . . . 87.06 -121.01 5.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.467 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.2 tpt 52.43 38.63 25.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -108.84 153.61 42.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.566 0.698 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.589 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.74 -90.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.791 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -105.32 13.58 30.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.8 t -75.8 141.25 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.12 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.61 121.89 15.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -83.66 22.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -124.91 -46.11 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -113.02 -33.36 6.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.7 17.38 11.24 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.45 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.559 ' HE3' ' CE2' ' A' ' 22' ' ' PHE . 2.1 tmtt? -70.64 113.17 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.766 0.317 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.24 135.56 33.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CE2' ' HE3' ' A' ' 20' ' ' LYS . 25.7 m-85 -125.52 -179.46 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -93.81 -35.23 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.3 p -137.52 155.78 48.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' CD ' HD11 ' A' ' 29' ' ' ILE . 14.3 ttmm -56.97 -45.0 83.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -55.9 -25.07 41.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -81.34 -32.59 32.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.956 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.791 HD22 ' O ' ' A' ' 13' ' ' TYR . 12.2 tp -80.4 -39.78 27.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.436 HD11 ' CD ' ' A' ' 25' ' ' LYS . 32.6 mt -57.1 -45.35 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.5 pt -63.89 -15.64 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.525 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -94.16 -48.08 6.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.0 m -42.89 -44.12 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 2.6 ptp180 -52.55 -37.82 58.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 31' ' ' HIS . 23.6 p -51.68 -18.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -81.53 15.63 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.5 m -93.28 -39.35 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.05 33.46 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -125.34 42.79 3.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.36 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.3 m -122.74 95.68 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -110.72 83.42 0.33 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.543 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 179.18 3.9 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.679 2.252 . . . . 0.0 112.339 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.2 t -45.76 131.63 9.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.2 m -113.21 42.09 1.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.526 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -120.89 166.67 13.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.866 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 t -82.91 87.27 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.73 178.57 16.34 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p 44.25 41.91 4.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.924 0.392 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.9 t -115.35 41.42 2.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.72 157.54 1.71 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 9' ' ' GLY . 25.1 m -134.31 85.5 2.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.86 0.362 . . . . 0.0 111.128 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 8' ' ' THR . . . 34.36 88.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.3 mmt -106.43 -44.12 4.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.84 139.97 46.86 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.563 0.697 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.622 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.78 -90.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.656 2.238 . . . . 0.0 112.332 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.622 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -108.56 19.06 20.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.6 t -75.85 146.15 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -77.27 108.33 10.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -67.2 -4.51 10.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -90.77 -52.34 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.2 p -110.78 -31.16 7.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 107.34 14.57 17.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -66.83 112.94 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.19 129.32 36.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -119.87 175.61 5.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -90.28 -35.05 15.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 m -126.51 168.18 14.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HE2' HD11 ' A' ' 29' ' ' ILE . 5.1 ttpm? -71.25 -44.19 65.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 29' ' ' ILE . 7.9 t -54.66 -32.64 59.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -68.35 -33.0 73.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -78.46 -33.2 48.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 26' ' ' SER . 23.5 mt -69.68 -44.32 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 2.8 pp -67.02 -17.44 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.627 ' O ' HG22 ' A' ' 34' ' ' THR . 3.9 t60 -94.41 -55.52 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.0 m -43.46 -25.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 3.8 ptm180 -66.84 -40.88 88.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.627 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.7 t -50.46 -33.45 21.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -51.55 -16.93 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.8 m -63.2 -48.07 79.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.99 39.54 2.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -106.0 -63.42 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 m -98.67 -52.14 3.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.73 159.19 31.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.483 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 126.89 13.83 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -130.12 116.85 19.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.3 m -70.17 142.75 52.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.489 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.531 -0.227 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -108.83 -61.45 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t 57.16 42.07 26.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -157.45 -146.01 4.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLY . 54.9 m 37.08 42.21 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.1 m -112.3 -58.22 2.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.64 111.71 0.75 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.4 p -72.15 -48.29 44.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.119 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.02 -93.51 0.46 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -76.57 172.26 13.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -54.04 139.0 54.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.6 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.76 -90.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.6 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -107.44 7.71 29.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' A' ' 21' ' ' ALA . 57.9 t -75.8 143.77 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.154 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.0 119.15 12.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -84.23 29.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -133.58 -38.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -119.11 -38.81 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.86 20.34 6.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HE3' ' CE2' ' A' ' 22' ' ' PHE . 1.4 tmtt? -77.57 112.01 13.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -89.2 139.71 30.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CE2' ' HE3' ' A' ' 20' ' ' LYS . 34.4 m-85 -128.14 -179.68 5.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.66 -39.21 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.7 p -123.12 171.08 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.582 ' HG2' HD11 ' A' ' 29' ' ' ILE . 14.4 ttmt -75.37 -34.0 61.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.556 ' HA ' HD12 ' A' ' 29' ' ' ILE . 34.8 t -62.89 -33.87 76.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -66.2 -35.25 79.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.525 HD22 ' O ' ' A' ' 13' ' ' TYR . 23.3 tp -78.52 -29.48 46.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.582 HD11 ' HG2' ' A' ' 25' ' ' LYS . 42.1 mt -70.67 -38.8 74.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.5 pt -76.14 -16.61 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.52 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -94.78 -40.98 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 t -58.43 -29.28 66.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -69.48 -38.5 77.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.3 p -57.77 -29.47 64.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -59.34 -26.01 64.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 79.1 m -70.52 -43.85 68.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.56 40.9 1.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.446 ' HG2' ' CB ' ' A' ' 42' ' ' SER . 22.1 tt0 -105.1 42.08 1.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.9 p -75.33 126.19 30.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.61 -155.25 26.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.437 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 2.9 3.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.446 ' CB ' ' HG2' ' A' ' 38' ' ' GLU . 53.8 p -41.17 162.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.0 t -159.94 151.05 19.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.468 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 t -39.48 -44.3 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.865 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -45.33 -56.22 5.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.17 88.67 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -71.52 106.9 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.876 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -143.66 157.27 44.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.38 125.37 2.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.0 m -103.45 132.77 49.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 111.126 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.12 75.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.6 ptm -149.29 152.35 35.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.634 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 9.0 mtpp 60.26 42.77 0.66 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.565 0.698 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.77 -53.25 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.307 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -114.7 10.88 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.7 t -75.65 133.23 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.68 118.55 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -83.33 20.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -121.84 -38.02 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -121.28 -33.86 3.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.98 18.24 10.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -72.34 111.3 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.327 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.51 137.51 32.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.674 ' CD1' ' CD1' ' A' ' 27' ' ' TYR . 74.8 m-85 -128.92 -175.23 3.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -96.84 -35.71 10.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.5 p -133.19 167.67 19.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -68.0 -41.57 82.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.508 ' HA ' HD12 ' A' ' 29' ' ' ILE . 1.4 t -53.15 -33.54 52.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.674 ' CD1' ' CD1' ' A' ' 22' ' ' PHE . 1.1 t80 -72.42 -36.05 68.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tp -76.62 -25.55 54.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 26' ' ' SER . 35.8 mt -74.37 -46.67 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.174 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.5 ' C ' HD12 ' A' ' 30' ' ' ILE . 2.7 pp -67.38 -14.7 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.531 ' O ' HG22 ' A' ' 34' ' ' THR . 5.4 t60 -94.42 -54.88 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 29' ' ' ILE . 6.2 t -44.83 -21.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 31' ' ' HIS . 3.7 ptm85 -84.05 -35.46 23.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 31' ' ' HIS . 1.2 t -55.48 -30.82 61.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -47.28 -20.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.0 p -98.2 43.08 1.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.03 -90.32 0.15 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -73.91 109.77 7.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 t -108.05 83.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.77 -64.81 1.83 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -17.71 37.16 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.706 2.271 . . . . 0.0 112.303 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 t -118.37 172.77 7.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 76.4 p -120.1 -48.88 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.496 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -77.02 112.07 13.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 t -150.07 141.03 22.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.21 127.51 9.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -56.52 153.68 9.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.376 . . . . 0.0 110.88 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 t -96.92 127.63 43.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.18 103.13 0.56 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.5 m -110.19 101.45 10.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 111.106 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.38 150.51 1.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 20.0 mtt -112.88 -52.31 2.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -85.2 134.44 40.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.532 0.682 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.595 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.83 -90.68 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.708 2.272 . . . . 0.0 112.295 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.712 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -105.66 14.78 27.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.939 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 t -76.62 145.44 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.51 113.04 11.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -72.64 2.85 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -98.58 -50.67 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.3 p -112.35 -32.81 6.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.41 10.38 21.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 2.0 tmtt? -64.1 114.04 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.21 141.82 28.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 51.8 m-85 -131.12 -174.91 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 ttm-85 -97.56 -37.96 9.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.9 p -131.66 168.86 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -70.74 -34.29 71.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 30' ' ' ILE . 1.2 t -60.39 -33.4 72.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.403 ' CD1' ' HD2' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -73.87 -41.32 62.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.84 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.712 HD22 ' O ' ' A' ' 13' ' ' TYR . 14.6 tp -72.61 -35.1 67.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.1 mt -62.25 -43.52 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.477 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 7.8 pt -70.83 -12.76 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.647 ' O ' HG22 ' A' ' 34' ' ' THR . 2.4 t60 -94.35 -53.7 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.8 m -41.89 -29.05 0.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 12.1 ptm180 -63.71 -42.17 98.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.647 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.6 t -45.4 -23.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -80.88 15.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 33' ' ' ARG . 16.6 m -94.93 -39.92 9.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.87 77.1 0.31 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 39' ' ' SER . 0.2 OUTLIER -92.83 126.05 37.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 38' ' ' GLU . 6.1 t -34.66 -60.09 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.05 170.62 23.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 162.33 42.46 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.6 p -64.94 109.63 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.5 p -104.53 166.65 10.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.478 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -87.31 42.04 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.839 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.2 p -124.02 133.78 53.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.73 75.4 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.465 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -172.69 106.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.895 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -125.78 86.06 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.15 40.46 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.506 HG23 ' O ' ' A' ' 8' ' ' THR . 15.0 t -158.94 122.34 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 111.171 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.0 71.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.4 mtt -138.65 115.43 10.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.835 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.91 150.56 37.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.635 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.7 -90.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.387 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.635 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -110.06 14.39 22.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.61 136.55 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.7 120.36 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -84.23 29.35 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -132.18 -42.09 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -116.2 -40.07 3.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.14 15.46 7.19 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 11.6 tptm -71.14 111.16 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.83 129.22 36.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 46.1 m-85 -118.02 178.36 4.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -91.1 -32.25 15.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.8 p -137.49 164.6 28.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -64.29 -47.46 79.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.429 ' HA ' HD12 ' A' ' 29' ' ' ILE . 22.2 m -54.86 -30.24 57.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -75.44 -30.23 59.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.618 HD22 ' O ' ' A' ' 13' ' ' TYR . 5.1 tp -84.07 -35.47 23.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 26' ' ' SER . 19.8 mt -63.62 -42.94 97.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.1 pt -63.6 -18.42 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' O ' HG22 ' A' ' 34' ' ' THR . 1.5 t60 -94.11 -54.3 3.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.434 ' N ' ' CD2' ' A' ' 31' ' ' HIS . 42.5 m -40.65 -24.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.149 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.3 ptp180 -76.43 -41.55 47.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 31' ' ' HIS . 1.9 t -49.67 -32.7 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -48.97 -18.82 0.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.3 p -116.39 39.99 2.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.95 -41.33 1.84 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.488 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -52.8 128.6 27.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -140.48 108.09 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.69 159.32 10.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 137.51 35.73 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 p -70.2 -45.11 67.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.1 m -74.59 136.5 42.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.47 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -139.96 117.86 11.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -119.98 104.78 10.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.99 70.96 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.531 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 t -55.2 -48.73 73.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.362 . . . . 0.0 110.866 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -115.2 111.72 21.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.37 164.49 12.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -169.84 145.85 3.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.7 -83.79 1.64 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.9 mtm -87.11 140.22 29.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -85.76 162.85 46.15 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.572 0.701 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.616 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.3 Cg_endo -69.82 -90.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.919 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -108.06 16.36 23.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.874 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 t -75.89 139.88 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -70.19 109.64 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -71.53 -0.59 10.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -95.41 -43.36 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 p -118.75 -33.66 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 111.02 8.01 24.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.58 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 12.0 tptm -62.5 110.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.332 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.62 128.88 36.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 26.5 m-85 -117.4 173.05 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -84.91 -30.74 24.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.0 m -136.8 174.11 10.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' HG2' HD11 ' A' ' 29' ' ' ILE . 13.5 ttpt -74.63 -45.26 46.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 30' ' ' ILE . 24.8 p -57.06 -29.39 63.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -75.76 -29.3 58.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.919 HD22 ' O ' ' A' ' 13' ' ' TYR . 6.6 tp -83.75 -36.5 23.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.816 ' O ' HG22 ' A' ' 32' ' ' THR . 20.7 mt -63.28 -42.65 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 26' ' ' SER . 8.8 pt -63.01 -20.82 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.862 ' O ' HG22 ' A' ' 34' ' ' THR . 0.9 OUTLIER -93.04 -47.15 7.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.816 HG22 ' O ' ' A' ' 29' ' ' ILE . 5.3 t -40.81 -25.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.615 ' O ' HG22 ' A' ' 36' ' ' THR . 2.2 ptm85 -83.95 -38.93 20.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.862 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.6 t -48.35 -21.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -57.68 -12.05 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 33' ' ' ARG . 10.5 t -98.33 37.9 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.39 -58.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -117.71 108.29 15.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -70.5 -43.58 69.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.24 -164.92 18.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 143.12 49.79 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.381 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t -94.74 155.88 16.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.1 m -136.41 156.74 48.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.443 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -82.25 88.64 6.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 m -127.55 -48.88 1.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.64 123.64 0.68 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -83.54 42.27 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t -174.16 147.73 1.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.72 -111.14 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.451 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.4 p -96.31 -52.08 4.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.846 0.355 . . . . 0.0 111.147 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.55 149.82 5.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.4 mmt -106.89 93.16 4.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -133.36 81.07 56.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.557 0.694 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.5 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 53.2 Cg_endo -69.77 -54.27 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.363 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.503 ' CD2' ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -126.17 18.17 7.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 19' ' ' GLY . 94.6 t -75.94 134.99 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -67.32 110.33 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -68.02 -5.44 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -89.06 -56.81 3.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 p -107.54 -29.9 8.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.73 1.78 30.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.473 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 5.4 tppt? -50.63 108.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.405 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -89.95 120.79 31.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.575 ' CD2' ' CD1' ' A' ' 27' ' ' TYR . 51.0 m-85 -112.64 178.65 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -87.44 -41.8 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.2 t -127.9 168.65 14.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.779 ' CE ' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -70.31 -37.25 74.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.848 ' HA ' HD12 ' A' ' 29' ' ' ILE . 10.6 t -56.91 -28.47 62.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.575 ' CD1' ' CD2' ' A' ' 22' ' ' PHE . 1.1 t80 -75.18 -39.25 60.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.1 tp -69.6 -29.01 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 26' ' ' SER . 26.9 mt -69.12 -39.42 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.406 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 8.1 pt -73.5 -13.02 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.5 t60 -93.97 -44.92 7.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 29' ' ' ILE . 13.4 t -50.34 -19.27 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.406 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -82.7 -30.17 29.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.2 p -66.51 -25.72 66.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -55.85 -29.67 60.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.6 m -59.92 -50.51 73.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.144 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.46 56.79 0.38 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 39' ' ' SER . 22.7 pt-20 -56.25 -42.56 77.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 43.2 t -84.37 31.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.03 -162.0 12.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.9 3.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.653 2.236 . . . . 0.0 112.388 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 p 72.16 37.85 0.94 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.5 p -114.83 144.2 43.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.481 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 t -104.39 81.84 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -89.04 40.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.93 47.95 0.2 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -125.44 84.92 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -71.48 118.41 14.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.25 99.13 2.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -118.21 -54.11 2.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.842 0.353 . . . . 0.0 111.15 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.54 179.82 15.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 20.2 mtp -74.6 93.58 2.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -115.98 83.53 12.25 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.558 0.694 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.568 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.76 -90.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.568 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -101.84 18.01 21.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.954 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.5 t -75.74 134.3 29.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.85 120.61 11.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -84.52 29.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -131.89 -42.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.5 p -115.8 -40.0 3.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.38 14.98 7.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.0 tptm -70.8 111.94 6.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.92 141.18 28.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -132.78 -174.95 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.6 ttt85 -94.95 -40.11 9.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.554 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 5.0 t -132.84 177.85 7.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' LEU . 14.4 mmmt -69.99 -51.82 29.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.9 p -43.72 -27.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -80.77 -37.78 29.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' LYS . 20.7 tp -75.52 -34.11 60.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.8 mt -67.57 -48.53 76.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.512 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 2.7 pp -63.63 -18.94 23.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.575 ' O ' HG22 ' A' ' 34' ' ' THR . 3.2 t60 -94.58 -34.78 12.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.427 ' O ' HG22 ' A' ' 32' ' ' THR . 41.4 m -66.94 -11.9 57.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 7.3 ptt180 -80.55 -21.65 41.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 31' ' ' HIS . 2.4 t -69.81 -22.45 63.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -74.77 4.84 5.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 41.44 43.84 2.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.62 53.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -45.97 135.26 7.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 t -67.66 -45.58 74.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.49 137.43 5.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -39.03 7.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.376 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m 46.06 40.77 7.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.5 p -86.5 41.61 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.483 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 t -93.16 139.07 30.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -91.74 150.54 21.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.14 -127.99 4.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.507 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.5 p -41.04 -46.43 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.83 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -129.65 148.82 51.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.82 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.87 146.78 8.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -72.22 145.59 47.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.839 0.352 . . . . 0.0 111.162 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.78 42.24 0.8 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.434 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.0 tpt -100.6 -42.09 6.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -71.35 134.82 84.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.612 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.76 -90.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.864 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -107.24 17.51 22.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 t -75.52 143.64 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.067 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.69 120.85 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -84.4 31.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -134.89 -43.97 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -113.51 -38.67 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.75 16.89 7.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.605 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 15.0 tptm -72.98 112.19 8.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.768 0.318 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.64 124.06 34.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.605 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 11.6 m-85 -113.87 167.35 10.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -78.36 -37.68 43.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -129.55 170.71 13.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.781 ' HG2' HD11 ' A' ' 29' ' ' ILE . 22.1 ttpt -72.95 -42.96 62.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.652 ' HA ' HD12 ' A' ' 29' ' ' ILE . 16.4 m -57.1 -31.61 65.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.44 -30.36 64.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.864 HD22 ' O ' ' A' ' 13' ' ' TYR . 10.3 tp -86.19 -34.44 20.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.781 HD11 ' HG2' ' A' ' 25' ' ' LYS . 18.3 mt -63.32 -36.11 74.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.7 pp -77.32 -12.98 14.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -94.65 -35.32 12.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 29' ' ' ILE . 13.4 t -62.94 -23.85 67.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -74.96 -43.96 51.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.2 p -53.89 -30.31 45.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -46.84 -33.36 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.8 m -42.19 -43.36 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.47 -70.29 0.94 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.61 86.13 0.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -106.87 107.57 18.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -97.28 -79.94 1.5 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' SER . 53.8 Cg_endo -69.77 2.71 3.29 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.256 . . . . 0.0 112.364 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' PRO . 49.9 m 38.27 42.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.794 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.8 t -90.32 150.62 21.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.519 -179.947 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -69.76 153.32 43.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.844 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -171.53 135.94 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.64 -82.78 1.68 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -149.58 110.75 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.376 . . . . 0.0 110.879 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 m -123.26 122.72 39.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.47 85.58 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.7 m -49.08 -51.09 33.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 111.125 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.86 78.51 1.4 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.7 ttp -117.19 149.37 40.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -129.68 84.2 62.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.515 0.674 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.446 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.75 -55.28 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.634 2.223 . . . . 0.0 112.333 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.639 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -123.53 13.99 9.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.9 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.456 HG22 ' CB ' ' A' ' 21' ' ' ALA . 97.2 t -75.97 140.63 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.09 118.95 11.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -84.54 28.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -132.37 -36.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 p -121.28 -37.87 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.27 18.44 7.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 tptp -75.73 111.57 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -89.93 142.81 27.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -134.24 177.4 7.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.1 mtm-85 -87.76 -40.39 14.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.7 p -132.34 160.17 37.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -58.75 -42.87 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.752 ' HA ' HD12 ' A' ' 29' ' ' ILE . 47.9 t -48.54 -38.58 20.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -68.64 -42.05 78.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.639 HD22 ' O ' ' A' ' 13' ' ' TYR . 15.1 tp -73.75 -21.8 60.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 26' ' ' SER . 22.9 mt -75.13 -41.03 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.6 pt -76.73 -13.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.432 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.6 t60 -94.01 -37.56 11.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 29' ' ' ILE . 13.0 t -62.57 -17.03 59.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -80.36 -24.63 39.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -67.47 -26.51 66.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -60.55 -25.51 66.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 p -114.03 38.96 2.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.54 -59.61 0.79 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' SER . 10.1 tp10 -90.45 -56.73 3.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' GLU . 40.8 m -38.53 145.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.94 -86.6 0.86 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 122.42 9.09 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.701 2.268 . . . . 0.0 112.36 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.4 p -43.01 -46.19 5.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m -39.84 157.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.499 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 t -133.43 135.68 44.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.855 0.359 . . . . 0.0 110.888 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -121.52 173.78 7.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.16 80.81 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.531 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 p -41.9 116.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.83 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.6 p -54.42 107.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.15 124.54 28.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.7 p -91.83 42.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.36 111.09 1.1 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.8 tpt -96.84 135.17 39.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.379 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.457 ' HG2' HG21 ' A' ' 14' ' ' VAL . 27.5 mtmt -118.89 82.54 21.1 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.606 0.717 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.473 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.74 -54.6 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.315 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.735 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -124.92 21.18 8.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.457 HG21 ' HG2' ' A' ' 11' ' ' LYS . 70.4 t -75.52 142.96 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.128 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' GLY . 2.9 t -75.02 106.38 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -66.49 -4.32 8.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -89.46 -49.14 6.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -116.21 -33.35 5.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.15 6.41 22.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 1.7 tmtt? -59.96 112.88 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.416 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -90.03 134.51 34.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 20.5 m-85 -122.45 177.69 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.39 -27.68 18.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -145.59 165.26 29.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -66.19 -45.86 79.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.648 ' HA ' HD12 ' A' ' 29' ' ' ILE . 26.4 t -56.69 -17.54 9.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -88.8 -31.14 18.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.735 HD22 ' O ' ' A' ' 13' ' ' TYR . 7.5 tp -86.53 -31.69 21.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 26' ' ' SER . 20.0 mt -60.71 -39.98 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.471 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 6.8 pt -71.95 -15.13 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.564 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -94.06 -45.44 7.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 85.0 m -47.27 -40.57 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.124 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.837 ' O ' HG22 ' A' ' 36' ' ' THR . 15.8 ptp180 -53.52 -38.03 63.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.2 p -53.69 -22.67 9.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -82.01 16.4 1.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.837 HG22 ' O ' ' A' ' 33' ' ' ARG . 9.2 t -92.19 -27.59 17.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.84 121.12 1.23 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -143.75 166.64 24.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.5 p -40.37 -51.47 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.53 -98.75 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 178.5 4.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.645 2.23 . . . . 0.0 112.342 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.8 m -128.09 -44.06 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.8 m -89.42 -54.29 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.499 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -94.01 -60.16 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 0.0 110.84 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 48.63 41.94 18.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.49 -178.62 16.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.515 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 t -88.29 128.14 35.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -53.47 105.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.54 -178.04 19.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.449 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.6 m -143.18 144.43 32.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 0.0 111.157 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 10' ' ' MET . . . -136.48 -85.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' GLY . 87.7 mtp -37.91 123.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -88.04 142.37 31.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.611 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.75 -90.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.611 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -107.68 5.22 26.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.42 HG22 ' CB ' ' A' ' 21' ' ' ALA . 69.9 t -75.52 137.89 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -65.97 122.12 16.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -84.54 27.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -130.05 -43.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -116.15 -37.84 3.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.24 9.9 14.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 1.3 tmtt? -65.98 114.1 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -89.64 146.89 24.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.096 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 38.6 m-85 -134.88 -174.85 3.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 24' ' ' SER . 3.5 ptp180 -105.11 -32.23 8.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 49.1 m -128.2 157.7 40.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.0 ttpp -68.44 -30.36 69.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.414 ' HA ' HD12 ' A' ' 29' ' ' ILE . 40.1 t -68.8 -24.61 64.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.411 ' CD1' ' HD2' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -78.9 -34.4 44.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.546 HD22 ' O ' ' A' ' 13' ' ' TYR . 15.4 tp -77.56 -39.93 44.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 26' ' ' SER . 23.9 mt -59.29 -45.51 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.542 ' C ' HD12 ' A' ' 30' ' ' ILE . 2.8 pp -69.36 -11.79 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.736 ' O ' HG22 ' A' ' 34' ' ' THR . 2.4 t60 -94.09 -49.21 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.2 m -49.14 -20.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -83.6 -30.52 26.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.736 HG22 ' O ' ' A' ' 31' ' ' HIS . 2.2 t -59.53 -29.59 68.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -54.44 -14.76 1.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.3 p -82.77 41.36 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.13 -48.93 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.474 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -60.76 -57.42 12.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 m -80.94 -58.95 2.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.92 126.39 7.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.534 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 98.45 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.8 t -160.94 147.0 14.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.811 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 t -105.67 -60.06 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.076 -0.847 . . . . 0.0 112.512 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -93.58 152.23 19.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -89.16 -48.58 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.01 -110.99 3.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.448 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -127.79 149.93 50.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 t -98.47 42.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.79 -62.57 0.5 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.7 p -39.34 104.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 111.124 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' MET . . . -100.45 76.58 0.43 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 9' ' ' GLY . 9.6 ttp -35.63 104.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.483 ' CG ' ' HB ' ' A' ' 14' ' ' VAL . 3.0 ptpt -100.55 153.82 37.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.56 0.695 . . . . 0.0 110.913 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.622 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.83 -90.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.25 . . . . 0.0 112.33 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.622 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -109.12 21.85 16.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.483 ' HB ' ' CG ' ' A' ' 11' ' ' LYS . 60.0 t -75.63 129.43 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.477 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -53.67 123.74 13.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -87.96 28.51 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -132.24 -42.42 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -115.29 -35.28 4.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.43 21.56 7.55 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.45 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.551 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 2.6 tmtt? -75.12 111.77 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.961 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.44 131.38 35.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 22.4 m-85 -123.72 -179.07 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -87.7 -41.13 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.1 p -129.73 -177.19 4.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 26' ' ' SER . 17.4 pttm -78.69 -41.08 32.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 3.6 p -53.68 -27.8 29.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -77.23 -37.29 53.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' A' ' 15' ' ' CYS . 20.1 tp -74.95 -38.19 61.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.1 mt -64.41 -50.92 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.438 ' C ' HD12 ' A' ' 30' ' ' ILE . 2.7 pp -65.48 -11.93 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' THR . 1.6 t60 -94.24 -53.36 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.411 ' N ' ' CD2' ' A' ' 31' ' ' HIS . 88.9 m -40.4 -31.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -69.88 -41.47 74.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 31' ' ' HIS . 60.7 p -49.08 -31.12 7.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -46.25 -33.53 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.4 p -50.07 -59.38 3.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.68 73.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -103.65 94.82 5.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.936 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -109.6 88.02 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.22 76.4 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -41.4 4.34 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.716 2.278 . . . . 0.0 112.334 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.2 t 66.6 42.27 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.5 m -100.07 -49.62 4.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.513 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 3' ' ' SER . 6.8 t -113.65 94.04 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.399 . . . . 0.0 110.844 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 2' ' ' SER . 24.4 t -35.01 -49.65 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.917 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.67 -159.5 52.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -117.2 80.76 1.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.367 . . . . 0.0 110.82 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -119.63 95.48 4.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.72 40.76 3.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.4 p -81.49 -43.1 19.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.36 . . . . 0.0 111.205 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.17 169.87 25.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.3 mtt -91.11 90.8 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -111.05 121.35 40.93 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.568 0.699 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.596 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.76 -90.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.368 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.834 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -104.83 18.83 21.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' A' ' 21' ' ' ALA . 87.3 t -75.14 142.79 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.9 t -76.48 108.85 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -66.24 -5.67 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -90.06 -58.18 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.6 p -105.49 -27.71 11.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 106.04 1.14 38.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.506 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.486 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.3 tppt? -52.46 112.65 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -93.74 123.6 37.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.557 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 15.3 m-85 -113.74 179.22 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.461 ' HD2' ' CB ' ' A' ' 24' ' ' SER . 2.3 ppt_? -94.17 -27.1 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.461 ' CB ' ' HD2' ' A' ' 23' ' ' ARG . 2.0 m -141.33 169.18 18.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -69.98 -42.51 73.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 30' ' ' ILE . 4.3 m -57.39 -32.04 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -75.91 -29.48 58.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.834 HD22 ' O ' ' A' ' 13' ' ' TYR . 10.4 tp -85.88 -30.21 23.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.652 ' O ' HG22 ' A' ' 32' ' ' THR . 19.7 mt -68.15 -35.35 71.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.474 HG23 ' O ' ' A' ' 26' ' ' SER . 7.3 pt -70.04 -18.65 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.503 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -94.29 -39.91 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 29' ' ' ILE . 4.9 t -55.45 -28.63 55.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -73.45 -31.91 64.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.7 p -64.69 -24.8 67.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 36' ' ' THR . 18.7 m-70 -59.84 -25.57 65.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' HIS . 30.4 p 35.25 43.1 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.94 123.28 5.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -121.17 113.38 19.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 m -73.99 128.0 34.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.87 160.02 33.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -1.37 8.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.63 2.22 . . . . 0.0 112.396 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.1 t -63.89 95.7 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 m -48.25 -47.13 36.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.118 -0.824 . . . . 0.0 112.495 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 m 61.45 42.09 11.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 110.871 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -152.02 128.49 10.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.42 84.28 0.17 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -146.96 116.53 7.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -155.38 135.04 12.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.43 174.72 13.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.552 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.2 m -121.78 145.45 48.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.353 . . . . 0.0 111.122 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.24 154.05 20.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.502 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 18.2 ptp -122.46 131.15 53.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.81 137.1 10.33 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.722 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.626 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.76 -90.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.684 2.256 . . . . 0.0 112.37 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.626 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -109.72 19.75 18.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.4 HG22 ' CB ' ' A' ' 21' ' ' ALA . 59.6 t -75.53 134.27 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.37 117.95 6.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -79.58 12.49 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -111.08 -45.7 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.7 p -115.88 -31.98 5.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.82 3.86 28.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.8 tppt? -55.57 107.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -90.01 123.01 33.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 14.1 m-85 -116.33 176.96 4.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -87.25 -39.26 15.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.8 m -134.86 149.73 50.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.527 ' N ' ' CD2' ' A' ' 13' ' ' TYR . 31.5 ttpt -47.62 -43.9 26.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.434 ' HA ' HD12 ' A' ' 29' ' ' ILE . 1.1 t -45.28 -39.46 6.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -71.81 -31.07 66.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -78.96 -30.87 44.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.544 ' O ' HG22 ' A' ' 32' ' ' THR . 21.2 mt -71.65 -43.56 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.494 ' C ' HD12 ' A' ' 30' ' ' ILE . 2.7 pp -70.58 -14.1 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 34' ' ' THR . 2.3 t60 -94.44 -54.54 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 29' ' ' ILE . 11.9 t -40.22 -26.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.5 ptp180 -75.43 -41.39 56.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.2 p -50.01 -31.74 13.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -45.84 -34.05 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.9 p -84.56 45.03 1.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.67 55.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -104.29 -42.9 5.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -155.89 119.25 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.04 -91.89 0.44 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.446 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 85.23 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.24 . . . . 0.0 112.326 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.8 t -129.81 159.89 35.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.8 t -56.04 149.16 16.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.502 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.581 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.968 0.413 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 t -76.8 145.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -75.15 107.03 6.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 16' ' ' ASN . 0.9 OUTLIER -67.47 -3.07 7.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -91.97 -47.64 7.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.5 p -115.43 -33.63 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 111.55 7.58 23.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.441 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 2.4 tmtm? -62.23 112.85 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.52 137.0 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.547 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 27.8 m-85 -127.39 -174.84 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -98.34 -37.18 9.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.7 m -129.39 156.96 43.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -62.58 -31.26 72.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.453 ' O ' HG23 ' A' ' 30' ' ' ILE . 76.7 p -62.36 -32.35 73.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -74.41 -32.94 62.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.581 HD22 ' O ' ' A' ' 13' ' ' TYR . 16.5 tp -78.76 -32.83 46.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.0 mt -67.75 -46.05 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 26' ' ' SER . 6.0 pt -69.9 -13.69 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.457 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.5 t60 -93.97 -50.87 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 -179.892 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.932 0.396 . . . . 0.0 110.918 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 t -75.84 138.65 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.14 119.87 13.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -83.25 20.46 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -122.72 -38.52 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -120.29 -33.67 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.04 13.98 18.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -69.47 111.64 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.72 143.94 26.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -134.05 177.98 7.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.1 ttp85 -94.41 -34.66 12.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 m -128.02 168.49 15.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -71.25 -45.73 62.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 30' ' ' ILE . 78.7 p -53.95 -27.49 31.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -72.09 -39.22 69.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.6 tp -74.29 -28.6 61.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 26' ' ' SER . 39.6 mt -70.5 -44.54 76.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 26' ' ' SER . 6.2 pt -67.34 -17.04 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -94.12 -56.54 2.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.8 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.991 0.424 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.8 t -78.55 140.39 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.589 ' HG ' ' CD ' ' A' ' 17' ' ' GLU . 1.8 t -70.27 110.26 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -66.69 -2.4 4.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.589 ' CD ' ' HG ' ' A' ' 15' ' ' CYS . 1.9 mp0 -98.05 -63.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -95.11 -23.78 17.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 94.86 13.0 54.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.58 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 7.3 tptm -64.8 113.46 3.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.54 129.63 35.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 15.5 m-85 -117.46 -178.76 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -93.88 -36.58 12.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.1 m -131.52 164.53 25.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -68.07 -37.27 81.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.412 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 47.6 t -66.86 -19.08 65.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -83.59 -28.57 28.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.569 HD22 ' O ' ' A' ' 13' ' ' TYR . 3.9 tp -85.07 -35.63 21.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.77 ' O ' HG22 ' A' ' 32' ' ' THR . 21.5 mt -61.99 -39.39 83.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.7 pt -68.12 -19.46 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.508 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -94.14 -41.67 9.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.77 HG22 ' O ' ' A' ' 29' ' ' ILE . 5.5 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.422 ' CD2' ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 t -75.89 144.71 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.31 121.22 15.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -84.64 29.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -132.84 -39.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -119.46 -34.91 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.27 22.0 7.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -74.22 111.3 9.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.89 130.87 36.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 27' ' ' TYR . 63.0 m-85 -123.25 178.29 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 24' ' ' SER . 2.6 ptm180 -90.45 -27.97 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.443 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 33.0 t -145.84 158.53 43.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' N ' ' CD2' ' A' ' 13' ' ' TYR . 12.3 ttpt -55.87 -41.76 74.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.574 ' HA ' HD12 ' A' ' 29' ' ' ILE . 5.3 t -49.4 -40.09 34.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.419 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 4.4 m-85 -70.37 -28.59 65.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -83.46 -27.5 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' A' ' 26' ' ' SER . 18.6 mt -75.21 -36.15 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.418 HD12 ' C ' ' A' ' 30' ' ' ILE . 2.8 pp -76.98 -17.85 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -94.17 -49.23 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 -179.921 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.791 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.978 0.418 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.8 t -75.8 141.25 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.12 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.61 121.89 15.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -83.66 22.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -124.91 -46.11 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -113.02 -33.36 6.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.7 17.38 11.24 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.45 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.559 ' HE3' ' CE2' ' A' ' 22' ' ' PHE . 2.1 tmtt? -70.64 113.17 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.766 0.317 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.24 135.56 33.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CE2' ' HE3' ' A' ' 20' ' ' LYS . 25.7 m-85 -125.52 -179.46 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -93.81 -35.23 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.3 p -137.52 155.78 48.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' CD ' HD11 ' A' ' 29' ' ' ILE . 14.3 ttmm -56.97 -45.0 83.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -55.9 -25.07 41.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -81.34 -32.59 32.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.956 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.791 HD22 ' O ' ' A' ' 13' ' ' TYR . 12.2 tp -80.4 -39.78 27.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.436 HD11 ' CD ' ' A' ' 25' ' ' LYS . 32.6 mt -57.1 -45.35 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.5 pt -63.89 -15.64 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.525 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -94.16 -48.08 6.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.0 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.6 t -75.85 146.15 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -77.27 108.33 10.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -67.2 -4.51 10.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -90.77 -52.34 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.2 p -110.78 -31.16 7.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 107.34 14.57 17.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -66.83 112.94 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.19 129.32 36.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -119.87 175.61 5.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -90.28 -35.05 15.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 m -126.51 168.18 14.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HE2' HD11 ' A' ' 29' ' ' ILE . 5.1 ttpm? -71.25 -44.19 65.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 29' ' ' ILE . 7.9 t -54.66 -32.64 59.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -68.35 -33.0 73.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -78.46 -33.2 48.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 26' ' ' SER . 23.5 mt -69.68 -44.32 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.8 pp -67.02 -17.44 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -94.41 -55.52 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.0 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 -179.943 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.525 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.98 0.419 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' A' ' 21' ' ' ALA . 57.9 t -75.8 143.77 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.154 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.0 119.15 12.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -84.23 29.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -133.58 -38.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -119.11 -38.81 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.86 20.34 6.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HE3' ' CE2' ' A' ' 22' ' ' PHE . 1.4 tmtt? -77.57 112.01 13.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -89.2 139.71 30.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CE2' ' HE3' ' A' ' 20' ' ' LYS . 34.4 m-85 -128.14 -179.68 5.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.66 -39.21 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.7 p -123.12 171.08 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.582 ' HG2' HD11 ' A' ' 29' ' ' ILE . 14.4 ttmt -75.37 -34.0 61.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.556 ' HA ' HD12 ' A' ' 29' ' ' ILE . 34.8 t -62.89 -33.87 76.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -66.2 -35.25 79.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.525 HD22 ' O ' ' A' ' 13' ' ' TYR . 23.3 tp -78.52 -29.48 46.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.582 HD11 ' HG2' ' A' ' 25' ' ' LYS . 42.1 mt -70.67 -38.8 74.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.5 pt -76.14 -16.61 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.52 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -94.78 -40.98 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 -179.896 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.928 0.394 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.7 t -75.65 133.23 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.68 118.55 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -83.33 20.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -121.84 -38.02 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -121.28 -33.86 3.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.98 18.24 10.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -72.34 111.3 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.327 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.51 137.51 32.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.674 ' CD1' ' CD1' ' A' ' 27' ' ' TYR . 74.8 m-85 -128.92 -175.23 3.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -96.84 -35.71 10.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.5 p -133.19 167.67 19.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -68.0 -41.57 82.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.508 ' HA ' HD12 ' A' ' 29' ' ' ILE . 1.4 t -53.15 -33.54 52.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.674 ' CD1' ' CD1' ' A' ' 22' ' ' PHE . 1.1 t80 -72.42 -36.05 68.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tp -76.62 -25.55 54.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 26' ' ' SER . 35.8 mt -74.37 -46.67 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.174 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.5 HD12 ' C ' ' A' ' 30' ' ' ILE . 2.7 pp -67.38 -14.7 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -94.42 -54.88 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 29' ' ' ILE . 6.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.712 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.91 0.386 . . . . 0.0 110.939 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 t -76.62 145.44 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.51 113.04 11.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -72.64 2.85 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -98.58 -50.67 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.3 p -112.35 -32.81 6.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.41 10.38 21.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 2.0 tmtt? -64.1 114.04 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.21 141.82 28.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 51.8 m-85 -131.12 -174.91 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 ttm-85 -97.56 -37.96 9.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.9 p -131.66 168.86 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -70.74 -34.29 71.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 30' ' ' ILE . 1.2 t -60.39 -33.4 72.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.403 ' CD1' ' HD2' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -73.87 -41.32 62.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.84 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.712 HD22 ' O ' ' A' ' 13' ' ' TYR . 14.6 tp -72.61 -35.1 67.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.1 mt -62.25 -43.52 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 26' ' ' SER . 7.8 pt -70.83 -12.76 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 2.4 t60 -94.35 -53.7 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.923 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.618 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.922 0.391 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.61 136.55 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.7 120.36 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -84.23 29.35 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -132.18 -42.09 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -116.2 -40.07 3.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.14 15.46 7.19 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 11.6 tptm -71.14 111.16 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.83 129.22 36.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 46.1 m-85 -118.02 178.36 4.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -91.1 -32.25 15.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.8 p -137.49 164.6 28.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -64.29 -47.46 79.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.429 ' HA ' HD12 ' A' ' 29' ' ' ILE . 22.2 m -54.86 -30.24 57.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -75.44 -30.23 59.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.618 HD22 ' O ' ' A' ' 13' ' ' TYR . 5.1 tp -84.07 -35.47 23.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 26' ' ' SER . 19.8 mt -63.62 -42.94 97.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.1 pt -63.6 -18.42 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.434 ' CD2' ' N ' ' A' ' 32' ' ' THR . 1.5 t60 -94.11 -54.3 3.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.434 ' N ' ' CD2' ' A' ' 31' ' ' HIS . 42.5 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.149 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.919 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.912 0.387 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 t -75.89 139.88 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -70.19 109.64 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -71.53 -0.59 10.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -95.41 -43.36 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 p -118.75 -33.66 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 111.02 8.01 24.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.58 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 12.0 tptm -62.5 110.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.332 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.62 128.88 36.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 26.5 m-85 -117.4 173.05 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -84.91 -30.74 24.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.0 m -136.8 174.11 10.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' HG2' HD11 ' A' ' 29' ' ' ILE . 13.5 ttpt -74.63 -45.26 46.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 30' ' ' ILE . 24.8 p -57.06 -29.39 63.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -75.76 -29.3 58.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.919 HD22 ' O ' ' A' ' 13' ' ' TYR . 6.6 tp -83.75 -36.5 23.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.816 ' O ' HG22 ' A' ' 32' ' ' THR . 20.7 mt -63.28 -42.65 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 26' ' ' SER . 8.8 pt -63.01 -20.82 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.465 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -93.04 -47.15 7.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.816 HG22 ' O ' ' A' ' 29' ' ' ILE . 5.3 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.503 ' CD2' ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.929 0.395 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 19' ' ' GLY . 94.6 t -75.94 134.99 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -67.32 110.33 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -68.02 -5.44 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -89.06 -56.81 3.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 p -107.54 -29.9 8.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.73 1.78 30.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.473 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 5.4 tppt? -50.63 108.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.405 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -89.95 120.79 31.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.575 ' CD2' ' CD1' ' A' ' 27' ' ' TYR . 51.0 m-85 -112.64 178.65 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -87.44 -41.8 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.2 t -127.9 168.65 14.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.779 ' CE ' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -70.31 -37.25 74.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.848 ' HA ' HD12 ' A' ' 29' ' ' ILE . 10.6 t -56.91 -28.47 62.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.575 ' CD1' ' CD2' ' A' ' 22' ' ' PHE . 1.1 t80 -75.18 -39.25 60.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.1 tp -69.6 -29.01 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 26' ' ' SER . 26.9 mt -69.12 -39.42 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.1 pt -73.5 -13.02 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.5 t60 -93.97 -44.92 7.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 29' ' ' ILE . 13.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.554 ' CE2' ' HA ' ' A' ' 24' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.939 0.4 . . . . 0.0 110.954 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.5 t -75.74 134.3 29.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.85 120.61 11.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -84.52 29.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -131.89 -42.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.5 p -115.8 -40.0 3.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.38 14.98 7.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.0 tptm -70.8 111.94 6.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.92 141.18 28.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -132.78 -174.95 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.6 ttt85 -94.95 -40.11 9.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.554 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 5.0 t -132.84 177.85 7.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' LEU . 14.4 mmmt -69.99 -51.82 29.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.9 p -43.72 -27.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -80.77 -37.78 29.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' LYS . 20.7 tp -75.52 -34.11 60.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.8 mt -67.57 -48.53 76.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.7 pp -63.63 -18.94 23.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -94.58 -34.78 12.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 32' ' ' THR . 41.4 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.864 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.93 0.395 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 t -75.52 143.64 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.067 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.69 120.85 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -84.4 31.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -134.89 -43.97 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -113.51 -38.67 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.75 16.89 7.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.605 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 15.0 tptm -72.98 112.19 8.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.768 0.318 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.64 124.06 34.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.605 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 11.6 m-85 -113.87 167.35 10.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -78.36 -37.68 43.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -129.55 170.71 13.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.781 ' HG2' HD11 ' A' ' 29' ' ' ILE . 22.1 ttpt -72.95 -42.96 62.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.652 ' HA ' HD12 ' A' ' 29' ' ' ILE . 16.4 m -57.1 -31.61 65.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.44 -30.36 64.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.864 HD22 ' O ' ' A' ' 13' ' ' TYR . 10.3 tp -86.19 -34.44 20.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.781 HD11 ' HG2' ' A' ' 25' ' ' LYS . 18.3 mt -63.32 -36.11 74.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.7 pp -77.32 -12.98 14.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -94.65 -35.32 12.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 29' ' ' ILE . 13.4 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.639 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.902 0.382 . . . . 0.0 110.942 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.456 HG22 ' CB ' ' A' ' 21' ' ' ALA . 97.2 t -75.97 140.63 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.09 118.95 11.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -84.54 28.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -132.37 -36.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 p -121.28 -37.87 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.27 18.44 7.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 tptp -75.73 111.57 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -89.93 142.81 27.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -134.24 177.4 7.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.1 mtm-85 -87.76 -40.39 14.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.7 p -132.34 160.17 37.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -58.75 -42.87 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.752 ' HA ' HD12 ' A' ' 29' ' ' ILE . 47.9 t -48.54 -38.58 20.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -68.64 -42.05 78.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.639 HD22 ' O ' ' A' ' 13' ' ' TYR . 15.1 tp -73.75 -21.8 60.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 26' ' ' SER . 22.9 mt -75.13 -41.03 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.6 pt -76.73 -13.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.432 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.6 t60 -94.01 -37.56 11.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 29' ' ' ILE . 13.0 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.735 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.981 0.419 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.416 HG22 ' CB ' ' A' ' 21' ' ' ALA . 70.4 t -75.52 142.96 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.128 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' GLY . 2.9 t -75.02 106.38 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -66.49 -4.32 8.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -89.46 -49.14 6.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -116.21 -33.35 5.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.15 6.41 22.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 1.7 tmtt? -59.96 112.88 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.416 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -90.03 134.51 34.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 20.5 m-85 -122.45 177.69 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.39 -27.68 18.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -145.59 165.26 29.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -66.19 -45.86 79.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.648 ' HA ' HD12 ' A' ' 29' ' ' ILE . 26.4 t -56.69 -17.54 9.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -88.8 -31.14 18.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.735 HD22 ' O ' ' A' ' 13' ' ' TYR . 7.5 tp -86.53 -31.69 21.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 26' ' ' SER . 20.0 mt -60.71 -39.98 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.8 pt -71.95 -15.13 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.564 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -94.06 -45.44 7.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 85.0 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.124 -179.895 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.546 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.91 0.386 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.42 HG22 ' CB ' ' A' ' 21' ' ' ALA . 69.9 t -75.52 137.89 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -65.97 122.12 16.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -84.54 27.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -130.05 -43.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -116.15 -37.84 3.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.24 9.9 14.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 1.3 tmtt? -65.98 114.1 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -89.64 146.89 24.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.096 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 38.6 m-85 -134.88 -174.85 3.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 24' ' ' SER . 3.5 ptp180 -105.11 -32.23 8.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 49.1 m -128.2 157.7 40.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.0 ttpp -68.44 -30.36 69.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.414 ' HA ' HD12 ' A' ' 29' ' ' ILE . 40.1 t -68.8 -24.61 64.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.411 ' CD1' ' HD2' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -78.9 -34.4 44.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.546 HD22 ' O ' ' A' ' 13' ' ' TYR . 15.4 tp -77.56 -39.93 44.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 26' ' ' SER . 23.9 mt -59.29 -45.51 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.542 HD12 ' C ' ' A' ' 30' ' ' ILE . 2.8 pp -69.36 -11.79 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.417 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 2.4 t60 -94.09 -49.21 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.2 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.901 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.954 0.407 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.0 t -75.63 129.43 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.477 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -53.67 123.74 13.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -87.96 28.51 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -132.24 -42.42 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -115.29 -35.28 4.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.43 21.56 7.55 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.45 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.551 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 2.6 tmtt? -75.12 111.77 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.961 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.44 131.38 35.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 22.4 m-85 -123.72 -179.07 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -87.7 -41.13 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.1 p -129.73 -177.19 4.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 26' ' ' SER . 17.4 pttm -78.69 -41.08 32.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 3.6 p -53.68 -27.8 29.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -77.23 -37.29 53.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' A' ' 15' ' ' CYS . 20.1 tp -74.95 -38.19 61.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.1 mt -64.41 -50.92 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.438 HD12 ' C ' ' A' ' 30' ' ' ILE . 2.7 pp -65.48 -11.93 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.418 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.6 t60 -94.24 -53.36 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.411 ' N ' ' CD2' ' A' ' 31' ' ' HIS . 88.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.834 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.925 0.393 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' A' ' 21' ' ' ALA . 87.3 t -75.14 142.79 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.9 t -76.48 108.85 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -66.24 -5.67 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -90.06 -58.18 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.6 p -105.49 -27.71 11.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 106.04 1.14 38.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.506 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.486 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.3 tppt? -52.46 112.65 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -93.74 123.6 37.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.557 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 15.3 m-85 -113.74 179.22 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.461 ' HD2' ' CB ' ' A' ' 24' ' ' SER . 2.3 ppt_? -94.17 -27.1 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.461 ' CB ' ' HD2' ' A' ' 23' ' ' ARG . 2.0 m -141.33 169.18 18.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -69.98 -42.51 73.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 30' ' ' ILE . 4.3 m -57.39 -32.04 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -75.91 -29.48 58.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.834 HD22 ' O ' ' A' ' 13' ' ' TYR . 10.4 tp -85.88 -30.21 23.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.652 ' O ' HG22 ' A' ' 32' ' ' THR . 19.7 mt -68.15 -35.35 71.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.474 HG23 ' O ' ' A' ' 26' ' ' SER . 7.3 pt -70.04 -18.65 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.503 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -94.29 -39.91 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 29' ' ' ILE . 4.9 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.527 ' CD2' ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.92 0.39 . . . . 0.0 110.937 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.4 HG22 ' CB ' ' A' ' 21' ' ' ALA . 59.6 t -75.53 134.27 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.37 117.95 6.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -79.58 12.49 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -111.08 -45.7 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.7 p -115.88 -31.98 5.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.82 3.86 28.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.8 tppt? -55.57 107.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.4 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -90.01 123.01 33.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 14.1 m-85 -116.33 176.96 4.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -87.25 -39.26 15.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.8 m -134.86 149.73 50.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.527 ' N ' ' CD2' ' A' ' 13' ' ' TYR . 31.5 ttpt -47.62 -43.9 26.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.434 ' HA ' HD12 ' A' ' 29' ' ' ILE . 1.1 t -45.28 -39.46 6.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -71.81 -31.07 66.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -78.96 -30.87 44.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.544 ' O ' HG22 ' A' ' 32' ' ' THR . 21.2 mt -71.65 -43.56 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.494 HD12 ' C ' ' A' ' 30' ' ' ILE . 2.7 pp -70.58 -14.1 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -94.44 -54.54 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 29' ' ' ILE . 11.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 t -172.37 150.88 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -129.01 108.65 10.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.66 -52.35 0.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t 62.17 42.25 9.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -104.35 162.95 12.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.95 -140.26 5.97 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 8' ' ' THR . 15.1 t -89.1 42.21 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 111.168 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.12 177.77 42.63 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.2 mmm -81.34 -58.32 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.657 ' HD3' HG11 ' A' ' 14' ' ' VAL . 6.7 mttm -103.29 162.06 21.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.547 0.689 . . . . 0.0 110.94 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.604 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.77 -90.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.604 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -106.19 19.05 21.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.657 HG11 ' HD3' ' A' ' 11' ' ' LYS . 14.1 t -76.8 145.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -75.15 107.03 6.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 16' ' ' ASN . 0.9 OUTLIER -67.47 -3.07 7.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -91.97 -47.64 7.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.5 p -115.43 -33.63 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 111.55 7.58 23.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.441 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 2.4 tmtm? -62.23 112.85 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.52 137.0 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.547 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 27.8 m-85 -127.39 -174.84 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -98.34 -37.18 9.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.7 m -129.39 156.96 43.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -62.58 -31.26 72.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.453 ' O ' HG23 ' A' ' 30' ' ' ILE . 76.7 p -62.36 -32.35 73.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -74.41 -32.94 62.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.581 HD22 ' O ' ' A' ' 13' ' ' TYR . 16.5 tp -78.76 -32.83 46.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.0 mt -67.75 -46.05 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 26' ' ' SER . 6.0 pt -69.9 -13.69 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.628 ' O ' HG22 ' A' ' 34' ' ' THR . 1.5 t60 -93.97 -50.87 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.2 m -45.75 -21.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 12.4 ptm180 -78.5 -38.05 41.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.628 HG22 ' O ' ' A' ' 31' ' ' HIS . 2.6 t -50.56 -33.98 23.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -47.31 -19.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.4 p -82.32 39.36 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.31 41.57 2.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -105.99 -46.64 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -49.68 -58.86 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -40.8 -88.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 141.47 45.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.338 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.3 t -162.32 176.27 10.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.1 t -128.96 153.52 47.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.488 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 m -141.68 159.9 41.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -129.71 154.06 47.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.43 172.18 24.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -107.85 -48.99 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -127.28 43.25 3.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.65 100.91 0.23 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.8 m -114.14 81.09 1.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 111.148 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.19 113.03 4.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 52.0 mtm -133.64 151.11 51.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -128.05 152.82 78.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.557 0.694 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.603 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.3 Cg_endo -69.75 -90.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.281 . . . . 0.0 112.311 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.603 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -106.58 5.33 28.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 t -75.84 138.65 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.14 119.87 13.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -83.25 20.46 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -122.72 -38.52 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -120.29 -33.67 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.04 13.98 18.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -69.47 111.64 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.72 143.94 26.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -134.05 177.98 7.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.1 ttp85 -94.41 -34.66 12.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 m -128.02 168.49 15.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -71.25 -45.73 62.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 30' ' ' ILE . 78.7 p -53.95 -27.49 31.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -72.09 -39.22 69.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.6 tp -74.29 -28.6 61.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 26' ' ' SER . 39.6 mt -70.5 -44.54 76.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 26' ' ' SER . 6.2 pt -67.34 -17.04 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.583 ' O ' HG22 ' A' ' 34' ' ' THR . 4.9 t60 -94.12 -56.54 2.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.8 m -39.36 -25.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 31' ' ' HIS . 13.6 ptm180 -81.0 -41.26 22.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 31' ' ' HIS . 1.6 t -47.99 -30.21 4.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -48.9 -18.85 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.5 m -58.32 -41.49 84.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.91 93.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -116.88 142.24 47.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.379 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.8 t 52.51 44.01 30.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.36 166.22 45.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 2.83 3.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.6 p 53.98 43.06 31.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.3 t -102.74 -45.75 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.501 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 1' ' ' GLY . 7.1 m -37.09 -44.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.829 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 p -59.78 108.29 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.17 90.28 0.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -110.76 108.38 18.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -110.67 -49.43 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.66 57.99 2.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.1 p -109.42 -37.59 5.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.832 0.349 . . . . 0.0 111.175 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.5 42.19 1.98 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -88.83 80.57 7.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -134.77 73.78 66.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.572 0.701 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.519 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.68 -54.25 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.336 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -117.25 15.15 14.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.8 t -78.55 140.39 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' SG ' ' CD ' ' A' ' 17' ' ' GLU . 1.8 t -70.27 110.26 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -66.69 -2.4 4.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' CD ' ' SG ' ' A' ' 15' ' ' CYS . 1.9 mp0 -98.05 -63.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -95.11 -23.78 17.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 94.86 13.0 54.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.58 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 7.3 tptm -64.8 113.46 3.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.54 129.63 35.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 15.5 m-85 -117.46 -178.76 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -93.88 -36.58 12.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.1 m -131.52 164.53 25.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -68.07 -37.27 81.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.412 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 47.6 t -66.86 -19.08 65.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -83.59 -28.57 28.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.569 HD22 ' O ' ' A' ' 13' ' ' TYR . 3.9 tp -85.07 -35.63 21.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.77 ' O ' HG22 ' A' ' 32' ' ' THR . 21.5 mt -61.99 -39.39 83.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.488 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 5.7 pt -68.12 -19.46 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.508 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -94.14 -41.67 9.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.77 HG22 ' O ' ' A' ' 29' ' ' ILE . 5.5 t -48.44 -22.35 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.488 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 5.5 ptm180 -74.0 -34.34 64.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.8 p -55.78 -14.74 2.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -84.86 15.77 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.2 t -77.07 -31.08 55.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -50.48 -53.92 22.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.32 -59.91 4.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.7 p -76.17 179.32 5.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.813 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.62 75.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 126.73 13.65 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.3 p -114.05 159.37 20.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.3 t 55.83 42.95 28.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.505 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 p -147.54 141.22 25.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 m -53.38 129.57 32.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.66 165.97 27.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 m -45.51 131.54 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -115.86 -45.21 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.78 77.37 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.5 p -45.82 -36.76 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.92 88.34 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.1 mtt -114.16 39.89 2.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.896 0.379 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -94.57 142.43 24.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.573 0.702 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.624 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.72 -90.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.729 2.286 . . . . 0.0 112.302 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.624 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -108.94 18.56 20.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 t -75.89 144.71 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.31 121.22 15.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -84.64 29.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -132.84 -39.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -119.46 -34.91 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.27 22.0 7.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -74.22 111.3 9.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.89 130.87 36.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 27' ' ' TYR . 63.0 m-85 -123.25 178.29 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 24' ' ' SER . 2.6 ptm180 -90.45 -27.97 18.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.443 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 33.0 t -145.84 158.53 43.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' N ' ' CD2' ' A' ' 13' ' ' TYR . 12.3 ttpt -55.87 -41.76 74.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.574 ' HA ' HD12 ' A' ' 29' ' ' ILE . 5.3 t -49.4 -40.09 34.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.419 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 4.4 m-85 -70.37 -28.59 65.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -83.46 -27.5 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' A' ' 26' ' ' SER . 18.6 mt -75.21 -36.15 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.428 ' HA ' ' CD ' ' A' ' 33' ' ' ARG . 2.8 pp -76.98 -17.85 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -94.17 -49.23 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 t -47.26 -27.95 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.428 ' CD ' ' HA ' ' A' ' 30' ' ' ILE . 6.2 ptm180 -76.07 -44.58 38.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.7 p -47.71 -33.49 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 36' ' ' THR . 20.0 m-70 -48.05 -32.46 6.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 35' ' ' HIS . 29.1 p 34.17 39.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.96 58.76 12.09 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -105.2 -40.17 5.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.5 p -72.12 -27.99 62.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.09 148.37 24.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 92.93 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.334 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.1 p -92.95 43.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 t 65.43 42.55 3.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.197 -0.78 . . . . 0.0 112.452 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.9 p -53.28 -50.67 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 110.845 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m -116.22 143.39 45.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.45 40.76 7.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.1 p -111.76 -46.61 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -63.45 87.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.66 82.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 9' ' ' GLY . 6.8 t -46.05 -41.88 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 111.153 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.404 ' N ' HG23 ' A' ' 8' ' ' THR . . . 87.06 -121.01 5.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.467 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.2 tpt 52.43 38.63 25.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -108.84 153.61 42.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.566 0.698 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.589 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.74 -90.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.791 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -105.32 13.58 30.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.8 t -75.8 141.25 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.12 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.61 121.89 15.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -83.66 22.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -124.91 -46.11 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -113.02 -33.36 6.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.7 17.38 11.24 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.45 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.559 ' HE3' ' CE2' ' A' ' 22' ' ' PHE . 2.1 tmtt? -70.64 113.17 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.766 0.317 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.24 135.56 33.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CE2' ' HE3' ' A' ' 20' ' ' LYS . 25.7 m-85 -125.52 -179.46 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -93.81 -35.23 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.3 p -137.52 155.78 48.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' CD ' HD11 ' A' ' 29' ' ' ILE . 14.3 ttmm -56.97 -45.0 83.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -55.9 -25.07 41.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -81.34 -32.59 32.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.956 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.791 HD22 ' O ' ' A' ' 13' ' ' TYR . 12.2 tp -80.4 -39.78 27.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.436 HD11 ' CD ' ' A' ' 25' ' ' LYS . 32.6 mt -57.1 -45.35 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.5 pt -63.89 -15.64 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.525 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -94.16 -48.08 6.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.0 m -42.89 -44.12 4.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 2.6 ptp180 -52.55 -37.82 58.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 31' ' ' HIS . 23.6 p -51.68 -18.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -81.53 15.63 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.5 m -93.28 -39.35 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.05 33.46 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -125.34 42.79 3.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.36 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.3 m -122.74 95.68 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -110.72 83.42 0.33 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.543 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 179.18 3.9 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.679 2.252 . . . . 0.0 112.339 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.2 t -45.76 131.63 9.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.2 m -113.21 42.09 1.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.526 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -120.89 166.67 13.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.866 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 t -82.91 87.27 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.73 178.57 16.34 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p 44.25 41.91 4.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.924 0.392 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.9 t -115.35 41.42 2.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.72 157.54 1.71 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 9' ' ' GLY . 25.1 m -134.31 85.5 2.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.86 0.362 . . . . 0.0 111.128 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 8' ' ' THR . . . 34.36 88.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.3 mmt -106.43 -44.12 4.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.84 139.97 46.86 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.563 0.697 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.622 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.78 -90.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.656 2.238 . . . . 0.0 112.332 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.622 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -108.56 19.06 20.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.6 t -75.85 146.15 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -77.27 108.33 10.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -67.2 -4.51 10.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -90.77 -52.34 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.2 p -110.78 -31.16 7.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 107.34 14.57 17.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -66.83 112.94 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.19 129.32 36.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -119.87 175.61 5.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -90.28 -35.05 15.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 m -126.51 168.18 14.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HE2' HD11 ' A' ' 29' ' ' ILE . 5.1 ttpm? -71.25 -44.19 65.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 29' ' ' ILE . 7.9 t -54.66 -32.64 59.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -68.35 -33.0 73.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -78.46 -33.2 48.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 26' ' ' SER . 23.5 mt -69.68 -44.32 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 2.8 pp -67.02 -17.44 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.627 ' O ' HG22 ' A' ' 34' ' ' THR . 3.9 t60 -94.41 -55.52 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.0 m -43.46 -25.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 3.8 ptm180 -66.84 -40.88 88.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.627 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.7 t -50.46 -33.45 21.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -51.55 -16.93 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.8 m -63.2 -48.07 79.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.99 39.54 2.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -106.0 -63.42 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 m -98.67 -52.14 3.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.73 159.19 31.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.483 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 126.89 13.83 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -130.12 116.85 19.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.3 m -70.17 142.75 52.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.489 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.531 -0.227 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -108.83 -61.45 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t 57.16 42.07 26.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -157.45 -146.01 4.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLY . 54.9 m 37.08 42.21 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.1 m -112.3 -58.22 2.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.64 111.71 0.75 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.4 p -72.15 -48.29 44.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.119 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.02 -93.51 0.46 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -76.57 172.26 13.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -54.04 139.0 54.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.6 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.76 -90.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.6 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -107.44 7.71 29.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' A' ' 21' ' ' ALA . 57.9 t -75.8 143.77 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.154 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.0 119.15 12.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -84.23 29.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -133.58 -38.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -119.11 -38.81 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.86 20.34 6.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HE3' ' CE2' ' A' ' 22' ' ' PHE . 1.4 tmtt? -77.57 112.01 13.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -89.2 139.71 30.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CE2' ' HE3' ' A' ' 20' ' ' LYS . 34.4 m-85 -128.14 -179.68 5.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.66 -39.21 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.7 p -123.12 171.08 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.582 ' HG2' HD11 ' A' ' 29' ' ' ILE . 14.4 ttmt -75.37 -34.0 61.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.556 ' HA ' HD12 ' A' ' 29' ' ' ILE . 34.8 t -62.89 -33.87 76.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -66.2 -35.25 79.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.525 HD22 ' O ' ' A' ' 13' ' ' TYR . 23.3 tp -78.52 -29.48 46.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.582 HD11 ' HG2' ' A' ' 25' ' ' LYS . 42.1 mt -70.67 -38.8 74.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.5 pt -76.14 -16.61 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.52 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -94.78 -40.98 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 t -58.43 -29.28 66.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -69.48 -38.5 77.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.3 p -57.77 -29.47 64.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -59.34 -26.01 64.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 79.1 m -70.52 -43.85 68.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.56 40.9 1.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.446 ' HG2' ' CB ' ' A' ' 42' ' ' SER . 22.1 tt0 -105.1 42.08 1.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.9 p -75.33 126.19 30.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.61 -155.25 26.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.437 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 2.9 3.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.446 ' CB ' ' HG2' ' A' ' 38' ' ' GLU . 53.8 p -41.17 162.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.0 t -159.94 151.05 19.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.468 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 t -39.48 -44.3 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.865 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -45.33 -56.22 5.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.17 88.67 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -71.52 106.9 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.876 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -143.66 157.27 44.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.38 125.37 2.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.0 m -103.45 132.77 49.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 111.126 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.12 75.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.6 ptm -149.29 152.35 35.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.634 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 9.0 mtpp 60.26 42.77 0.66 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.565 0.698 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.77 -53.25 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.307 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -114.7 10.88 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.7 t -75.65 133.23 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.68 118.55 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -83.33 20.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -121.84 -38.02 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -121.28 -33.86 3.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.98 18.24 10.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -72.34 111.3 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.327 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.51 137.51 32.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.674 ' CD1' ' CD1' ' A' ' 27' ' ' TYR . 74.8 m-85 -128.92 -175.23 3.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -96.84 -35.71 10.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.5 p -133.19 167.67 19.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -68.0 -41.57 82.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.508 ' HA ' HD12 ' A' ' 29' ' ' ILE . 1.4 t -53.15 -33.54 52.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.674 ' CD1' ' CD1' ' A' ' 22' ' ' PHE . 1.1 t80 -72.42 -36.05 68.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tp -76.62 -25.55 54.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 26' ' ' SER . 35.8 mt -74.37 -46.67 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.174 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.5 HD12 ' C ' ' A' ' 30' ' ' ILE . 2.7 pp -67.38 -14.7 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.531 ' O ' HG22 ' A' ' 34' ' ' THR . 5.4 t60 -94.42 -54.88 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 29' ' ' ILE . 6.2 t -44.83 -21.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 31' ' ' HIS . 3.7 ptm85 -84.05 -35.46 23.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 31' ' ' HIS . 1.2 t -55.48 -30.82 61.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -47.28 -20.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.0 p -98.2 43.08 1.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.03 -90.32 0.15 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -73.91 109.77 7.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 t -108.05 83.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.77 -64.81 1.83 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -17.71 37.16 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.706 2.271 . . . . 0.0 112.303 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 t -118.37 172.77 7.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 76.4 p -120.1 -48.88 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.496 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -77.02 112.07 13.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 t -150.07 141.03 22.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.21 127.51 9.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -56.52 153.68 9.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.376 . . . . 0.0 110.88 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 t -96.92 127.63 43.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.18 103.13 0.56 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.5 m -110.19 101.45 10.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 111.106 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.38 150.51 1.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 20.0 mtt -112.88 -52.31 2.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -85.2 134.44 40.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.532 0.682 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.595 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.83 -90.68 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.708 2.272 . . . . 0.0 112.295 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.712 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -105.66 14.78 27.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.939 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 t -76.62 145.44 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.51 113.04 11.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -72.64 2.85 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -98.58 -50.67 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.3 p -112.35 -32.81 6.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.41 10.38 21.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 2.0 tmtt? -64.1 114.04 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.21 141.82 28.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 51.8 m-85 -131.12 -174.91 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 ttm-85 -97.56 -37.96 9.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.9 p -131.66 168.86 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -70.74 -34.29 71.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 30' ' ' ILE . 1.2 t -60.39 -33.4 72.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.403 ' CD1' ' HD2' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -73.87 -41.32 62.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.84 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.712 HD22 ' O ' ' A' ' 13' ' ' TYR . 14.6 tp -72.61 -35.1 67.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.1 mt -62.25 -43.52 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.477 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 7.8 pt -70.83 -12.76 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.647 ' O ' HG22 ' A' ' 34' ' ' THR . 2.4 t60 -94.35 -53.7 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.8 m -41.89 -29.05 0.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 12.1 ptm180 -63.71 -42.17 98.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.647 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.6 t -45.4 -23.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -80.88 15.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 33' ' ' ARG . 16.6 m -94.93 -39.92 9.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.87 77.1 0.31 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 39' ' ' SER . 0.2 OUTLIER -92.83 126.05 37.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 38' ' ' GLU . 6.1 t -34.66 -60.09 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.05 170.62 23.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 162.33 42.46 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.6 p -64.94 109.63 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.5 p -104.53 166.65 10.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.478 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -87.31 42.04 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.839 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.2 p -124.02 133.78 53.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.73 75.4 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.465 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -172.69 106.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.895 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -125.78 86.06 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.15 40.46 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.506 HG23 ' O ' ' A' ' 8' ' ' THR . 15.0 t -158.94 122.34 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 111.171 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.0 71.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.4 mtt -138.65 115.43 10.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.835 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.91 150.56 37.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.635 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.7 -90.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.387 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.635 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -110.06 14.39 22.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.61 136.55 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.7 120.36 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -84.23 29.35 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -132.18 -42.09 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -116.2 -40.07 3.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.14 15.46 7.19 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 11.6 tptm -71.14 111.16 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.83 129.22 36.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 46.1 m-85 -118.02 178.36 4.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -91.1 -32.25 15.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.8 p -137.49 164.6 28.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -64.29 -47.46 79.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.429 ' HA ' HD12 ' A' ' 29' ' ' ILE . 22.2 m -54.86 -30.24 57.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -75.44 -30.23 59.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.618 HD22 ' O ' ' A' ' 13' ' ' TYR . 5.1 tp -84.07 -35.47 23.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 26' ' ' SER . 19.8 mt -63.62 -42.94 97.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.1 pt -63.6 -18.42 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' O ' HG22 ' A' ' 34' ' ' THR . 1.5 t60 -94.11 -54.3 3.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.434 ' N ' ' CD2' ' A' ' 31' ' ' HIS . 42.5 m -40.65 -24.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.149 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.3 ptp180 -76.43 -41.55 47.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 31' ' ' HIS . 1.9 t -49.67 -32.7 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -48.97 -18.82 0.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.3 p -116.39 39.99 2.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.95 -41.33 1.84 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.488 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -52.8 128.6 27.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -140.48 108.09 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.69 159.32 10.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 137.51 35.73 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 p -70.2 -45.11 67.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.1 m -74.59 136.5 42.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.47 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -139.96 117.86 11.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -119.98 104.78 10.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.99 70.96 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.531 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 t -55.2 -48.73 73.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.362 . . . . 0.0 110.866 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -115.2 111.72 21.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.37 164.49 12.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -169.84 145.85 3.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.7 -83.79 1.64 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.9 mtm -87.11 140.22 29.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -85.76 162.85 46.15 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.572 0.701 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.616 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.3 Cg_endo -69.82 -90.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.919 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -108.06 16.36 23.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 t -75.89 139.88 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -70.19 109.64 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -71.53 -0.59 10.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -95.41 -43.36 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 p -118.75 -33.66 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 111.02 8.01 24.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.58 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 12.0 tptm -62.5 110.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.332 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.62 128.88 36.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 26.5 m-85 -117.4 173.05 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -84.91 -30.74 24.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.0 m -136.8 174.11 10.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' HG2' HD11 ' A' ' 29' ' ' ILE . 13.5 ttpt -74.63 -45.26 46.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 30' ' ' ILE . 24.8 p -57.06 -29.39 63.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -75.76 -29.3 58.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.919 HD22 ' O ' ' A' ' 13' ' ' TYR . 6.6 tp -83.75 -36.5 23.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.816 ' O ' HG22 ' A' ' 32' ' ' THR . 20.7 mt -63.28 -42.65 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 26' ' ' SER . 8.8 pt -63.01 -20.82 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.862 ' O ' HG22 ' A' ' 34' ' ' THR . 0.9 OUTLIER -93.04 -47.15 7.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.816 HG22 ' O ' ' A' ' 29' ' ' ILE . 5.3 t -40.81 -25.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.615 ' O ' HG22 ' A' ' 36' ' ' THR . 2.2 ptm85 -83.95 -38.93 20.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.862 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.6 t -48.35 -21.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -57.68 -12.05 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 33' ' ' ARG . 10.5 t -98.33 37.9 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.39 -58.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -117.71 108.29 15.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -70.5 -43.58 69.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.24 -164.92 18.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 143.12 49.79 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.381 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t -94.74 155.88 16.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.1 m -136.41 156.74 48.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.443 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -82.25 88.64 6.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 m -127.55 -48.88 1.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.64 123.64 0.68 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -83.54 42.27 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t -174.16 147.73 1.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.72 -111.14 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.451 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.4 p -96.31 -52.08 4.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.846 0.355 . . . . 0.0 111.147 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.55 149.82 5.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.4 mmt -106.89 93.16 4.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -133.36 81.07 56.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.557 0.694 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.5 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 53.2 Cg_endo -69.77 -54.27 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.363 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.503 ' CD2' ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -126.17 18.17 7.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 19' ' ' GLY . 94.6 t -75.94 134.99 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t -67.32 110.33 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -68.02 -5.44 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -89.06 -56.81 3.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 p -107.54 -29.9 8.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 109.73 1.78 30.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.473 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 5.4 tppt? -50.63 108.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.405 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -89.95 120.79 31.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.575 ' CD2' ' CD1' ' A' ' 27' ' ' TYR . 51.0 m-85 -112.64 178.65 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -87.44 -41.8 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.2 t -127.9 168.65 14.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.779 ' CE ' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -70.31 -37.25 74.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.848 ' HA ' HD12 ' A' ' 29' ' ' ILE . 10.6 t -56.91 -28.47 62.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.575 ' CD1' ' CD2' ' A' ' 22' ' ' PHE . 1.1 t80 -75.18 -39.25 60.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.1 tp -69.6 -29.01 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 26' ' ' SER . 26.9 mt -69.12 -39.42 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.406 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 8.1 pt -73.5 -13.02 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.5 t60 -93.97 -44.92 7.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 29' ' ' ILE . 13.4 t -50.34 -19.27 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.406 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -82.7 -30.17 29.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.2 p -66.51 -25.72 66.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -55.85 -29.67 60.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.6 m -59.92 -50.51 73.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.144 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.46 56.79 0.38 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 39' ' ' SER . 22.7 pt-20 -56.25 -42.56 77.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 43.2 t -84.37 31.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.03 -162.0 12.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.9 3.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.653 2.236 . . . . 0.0 112.388 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 p 72.16 37.85 0.94 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.5 p -114.83 144.2 43.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.817 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.481 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 t -104.39 81.84 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -89.04 40.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.93 47.95 0.2 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -125.44 84.92 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -71.48 118.41 14.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.25 99.13 2.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -118.21 -54.11 2.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.842 0.353 . . . . 0.0 111.15 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.54 179.82 15.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 20.2 mtp -74.6 93.58 2.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -115.98 83.53 12.25 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.558 0.694 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.568 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.76 -90.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.568 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -101.84 18.01 21.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.954 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.5 t -75.74 134.3 29.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.85 120.61 11.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -84.52 29.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -131.89 -42.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.5 p -115.8 -40.0 3.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.38 14.98 7.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.0 tptm -70.8 111.94 6.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.92 141.18 28.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -132.78 -174.95 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.6 ttt85 -94.95 -40.11 9.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.554 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 5.0 t -132.84 177.85 7.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' LEU . 14.4 mmmt -69.99 -51.82 29.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.9 p -43.72 -27.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -80.77 -37.78 29.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' LYS . 20.7 tp -75.52 -34.11 60.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.8 mt -67.57 -48.53 76.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.512 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 2.7 pp -63.63 -18.94 23.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.575 ' O ' HG22 ' A' ' 34' ' ' THR . 3.2 t60 -94.58 -34.78 12.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 32' ' ' THR . 41.4 m -66.94 -11.9 57.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 30' ' ' ILE . 7.3 ptt180 -80.55 -21.65 41.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 31' ' ' HIS . 2.4 t -69.81 -22.45 63.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -74.77 4.84 5.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 41.44 43.84 2.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -138.62 53.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -45.97 135.26 7.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 t -67.66 -45.58 74.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.49 137.43 5.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -39.03 7.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.376 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m 46.06 40.77 7.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.5 p -86.5 41.61 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.483 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 t -93.16 139.07 30.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -91.74 150.54 21.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.14 -127.99 4.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.507 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.5 p -41.04 -46.43 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.83 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -129.65 148.82 51.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.82 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.87 146.78 8.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -72.22 145.59 47.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.839 0.352 . . . . 0.0 111.162 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.78 42.24 0.8 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.434 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.0 tpt -100.6 -42.09 6.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -71.35 134.82 84.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.612 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.76 -90.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.864 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -107.24 17.51 22.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 t -75.52 143.64 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.067 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.69 120.85 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -84.4 31.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -134.89 -43.97 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -113.51 -38.67 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.75 16.89 7.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.605 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 15.0 tptm -72.98 112.19 8.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.768 0.318 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.64 124.06 34.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.605 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 11.6 m-85 -113.87 167.35 10.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -78.36 -37.68 43.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -129.55 170.71 13.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.781 ' HG2' HD11 ' A' ' 29' ' ' ILE . 22.1 ttpt -72.95 -42.96 62.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.652 ' HA ' HD12 ' A' ' 29' ' ' ILE . 16.4 m -57.1 -31.61 65.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.44 -30.36 64.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.864 HD22 ' O ' ' A' ' 13' ' ' TYR . 10.3 tp -86.19 -34.44 20.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.781 HD11 ' HG2' ' A' ' 25' ' ' LYS . 18.3 mt -63.32 -36.11 74.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.7 pp -77.32 -12.98 14.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -94.65 -35.32 12.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 29' ' ' ILE . 13.4 t -62.94 -23.85 67.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -74.96 -43.96 51.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.2 p -53.89 -30.31 45.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -46.84 -33.36 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.8 m -42.19 -43.36 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.47 -70.29 0.94 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.61 86.13 0.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -106.87 107.57 18.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -97.28 -79.94 1.5 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' SER . 53.8 Cg_endo -69.77 2.71 3.29 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.256 . . . . 0.0 112.364 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' PRO . 49.9 m 38.27 42.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.794 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.8 t -90.32 150.62 21.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.519 -179.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -69.76 153.32 43.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.844 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -171.53 135.94 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.64 -82.78 1.68 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -149.58 110.75 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.376 . . . . 0.0 110.879 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 m -123.26 122.72 39.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.47 85.58 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.7 m -49.08 -51.09 33.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 111.125 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.86 78.51 1.4 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.7 ttp -117.19 149.37 40.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -129.68 84.2 62.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.515 0.674 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.446 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.75 -55.28 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.634 2.223 . . . . 0.0 112.333 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.639 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -123.53 13.99 9.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.9 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.456 HG22 ' CB ' ' A' ' 21' ' ' ALA . 97.2 t -75.97 140.63 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.09 118.95 11.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -84.54 28.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -132.37 -36.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 p -121.28 -37.87 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.27 18.44 7.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 tptp -75.73 111.57 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -89.93 142.81 27.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -134.24 177.4 7.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.1 mtm-85 -87.76 -40.39 14.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.7 p -132.34 160.17 37.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -58.75 -42.87 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.752 ' HA ' HD12 ' A' ' 29' ' ' ILE . 47.9 t -48.54 -38.58 20.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -68.64 -42.05 78.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.639 HD22 ' O ' ' A' ' 13' ' ' TYR . 15.1 tp -73.75 -21.8 60.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 26' ' ' SER . 22.9 mt -75.13 -41.03 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.6 pt -76.73 -13.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.432 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.6 t60 -94.01 -37.56 11.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 29' ' ' ILE . 13.0 t -62.57 -17.03 59.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -80.36 -24.63 39.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -67.47 -26.51 66.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -60.55 -25.51 66.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 p -114.03 38.96 2.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.54 -59.61 0.79 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' SER . 10.1 tp10 -90.45 -56.73 3.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' GLU . 40.8 m -38.53 145.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.94 -86.6 0.86 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 122.42 9.09 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.701 2.268 . . . . 0.0 112.36 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.4 p -43.01 -46.19 5.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m -39.84 157.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.499 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 t -133.43 135.68 44.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.855 0.359 . . . . 0.0 110.888 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -121.52 173.78 7.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.16 80.81 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.531 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 p -41.9 116.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.83 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.6 p -54.42 107.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.15 124.54 28.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.7 p -91.83 42.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.36 111.09 1.1 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.8 tpt -96.84 135.17 39.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.379 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.457 ' HG2' HG21 ' A' ' 14' ' ' VAL . 27.5 mtmt -118.89 82.54 21.1 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.606 0.717 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.473 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.74 -54.6 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.315 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.735 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -124.92 21.18 8.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.457 HG21 ' HG2' ' A' ' 11' ' ' LYS . 70.4 t -75.52 142.96 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.128 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' GLY . 2.9 t -75.02 106.38 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -66.49 -4.32 8.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -89.46 -49.14 6.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.3 p -116.21 -33.35 5.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 113.15 6.41 22.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 1.7 tmtt? -59.96 112.88 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.416 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -90.03 134.51 34.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 20.5 m-85 -122.45 177.69 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.39 -27.68 18.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.2 t -145.59 165.26 29.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -66.19 -45.86 79.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.648 ' HA ' HD12 ' A' ' 29' ' ' ILE . 26.4 t -56.69 -17.54 9.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -88.8 -31.14 18.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.735 HD22 ' O ' ' A' ' 13' ' ' TYR . 7.5 tp -86.53 -31.69 21.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 26' ' ' SER . 20.0 mt -60.71 -39.98 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.471 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 6.8 pt -71.95 -15.13 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.564 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -94.06 -45.44 7.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 85.0 m -47.27 -40.57 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.124 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.837 ' O ' HG22 ' A' ' 36' ' ' THR . 15.8 ptp180 -53.52 -38.03 63.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.2 p -53.69 -22.67 9.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -82.01 16.4 1.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.837 HG22 ' O ' ' A' ' 33' ' ' ARG . 9.2 t -92.19 -27.59 17.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.84 121.12 1.23 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -143.75 166.64 24.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.5 p -40.37 -51.47 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.53 -98.75 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 178.5 4.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.645 2.23 . . . . 0.0 112.342 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.8 m -128.09 -44.06 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.8 m -89.42 -54.29 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.499 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -94.01 -60.16 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 0.0 110.84 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 48.63 41.94 18.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.49 -178.62 16.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.515 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 t -88.29 128.14 35.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -53.47 105.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.54 -178.04 19.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.449 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.6 m -143.18 144.43 32.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 0.0 111.157 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 10' ' ' MET . . . -136.48 -85.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' GLY . 87.7 mtp -37.91 123.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -88.04 142.37 31.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.611 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.75 -90.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.611 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -107.68 5.22 26.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.42 HG22 ' CB ' ' A' ' 21' ' ' ALA . 69.9 t -75.52 137.89 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -65.97 122.12 16.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -84.54 27.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -130.05 -43.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -116.15 -37.84 3.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.24 9.9 14.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 1.3 tmtt? -65.98 114.1 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -89.64 146.89 24.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.096 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 38.6 m-85 -134.88 -174.85 3.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 24' ' ' SER . 3.5 ptp180 -105.11 -32.23 8.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 23' ' ' ARG . 49.1 m -128.2 157.7 40.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.0 ttpp -68.44 -30.36 69.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.414 ' HA ' HD12 ' A' ' 29' ' ' ILE . 40.1 t -68.8 -24.61 64.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.411 ' CD1' ' HD2' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -78.9 -34.4 44.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.546 HD22 ' O ' ' A' ' 13' ' ' TYR . 15.4 tp -77.56 -39.93 44.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 26' ' ' SER . 23.9 mt -59.29 -45.51 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.542 HD12 ' C ' ' A' ' 30' ' ' ILE . 2.8 pp -69.36 -11.79 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.736 ' O ' HG22 ' A' ' 34' ' ' THR . 2.4 t60 -94.09 -49.21 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.2 m -49.14 -20.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -83.6 -30.52 26.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.736 HG22 ' O ' ' A' ' 31' ' ' HIS . 2.2 t -59.53 -29.59 68.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -54.44 -14.76 1.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.3 p -82.77 41.36 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.13 -48.93 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.474 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -60.76 -57.42 12.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 m -80.94 -58.95 2.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.92 126.39 7.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.534 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 98.45 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.8 t -160.94 147.0 14.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.811 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 t -105.67 -60.06 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.076 -0.847 . . . . 0.0 112.512 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -93.58 152.23 19.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -89.16 -48.58 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.01 -110.99 3.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.448 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -127.79 149.93 50.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 t -98.47 42.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.79 -62.57 0.5 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.7 p -39.34 104.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 111.124 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' MET . . . -100.45 76.58 0.43 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 9' ' ' GLY . 9.6 ttp -35.63 104.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.483 ' CG ' ' HB ' ' A' ' 14' ' ' VAL . 3.0 ptpt -100.55 153.82 37.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.56 0.695 . . . . 0.0 110.913 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.622 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.83 -90.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.25 . . . . 0.0 112.33 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.622 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -109.12 21.85 16.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.483 ' HB ' ' CG ' ' A' ' 11' ' ' LYS . 60.0 t -75.63 129.43 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.477 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -53.67 123.74 13.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -87.96 28.51 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -132.24 -42.42 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -115.29 -35.28 4.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.43 21.56 7.55 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.45 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.551 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 2.6 tmtt? -75.12 111.77 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.961 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.44 131.38 35.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 22.4 m-85 -123.72 -179.07 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -87.7 -41.13 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.1 p -129.73 -177.19 4.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 26' ' ' SER . 17.4 pttm -78.69 -41.08 32.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 3.6 p -53.68 -27.8 29.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -77.23 -37.29 53.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' A' ' 15' ' ' CYS . 20.1 tp -74.95 -38.19 61.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.1 mt -64.41 -50.92 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.438 HD12 ' C ' ' A' ' 30' ' ' ILE . 2.7 pp -65.48 -11.93 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' THR . 1.6 t60 -94.24 -53.36 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.411 ' N ' ' CD2' ' A' ' 31' ' ' HIS . 88.9 m -40.4 -31.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -69.88 -41.47 74.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 31' ' ' HIS . 60.7 p -49.08 -31.12 7.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -46.25 -33.53 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.4 p -50.07 -59.38 3.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.68 73.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -103.65 94.82 5.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.936 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -109.6 88.02 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.22 76.4 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -41.4 4.34 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.716 2.278 . . . . 0.0 112.334 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.2 t 66.6 42.27 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.5 m -100.07 -49.62 4.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.513 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 3' ' ' SER . 6.8 t -113.65 94.04 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.399 . . . . 0.0 110.844 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 2' ' ' SER . 24.4 t -35.01 -49.65 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.917 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.67 -159.5 52.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -117.2 80.76 1.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.367 . . . . 0.0 110.82 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -119.63 95.48 4.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.72 40.76 3.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.4 p -81.49 -43.1 19.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.36 . . . . 0.0 111.205 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.17 169.87 25.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.3 mtt -91.11 90.8 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -111.05 121.35 40.93 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.568 0.699 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.596 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.76 -90.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.368 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.834 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -104.83 18.83 21.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' A' ' 21' ' ' ALA . 87.3 t -75.14 142.79 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.9 t -76.48 108.85 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -66.24 -5.67 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -90.06 -58.18 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.6 p -105.49 -27.71 11.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 106.04 1.14 38.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.506 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.486 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.3 tppt? -52.46 112.65 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -93.74 123.6 37.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.557 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 15.3 m-85 -113.74 179.22 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.461 ' HD2' ' CB ' ' A' ' 24' ' ' SER . 2.3 ppt_? -94.17 -27.1 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.461 ' CB ' ' HD2' ' A' ' 23' ' ' ARG . 2.0 m -141.33 169.18 18.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -69.98 -42.51 73.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 30' ' ' ILE . 4.3 m -57.39 -32.04 66.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -75.91 -29.48 58.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.834 HD22 ' O ' ' A' ' 13' ' ' TYR . 10.4 tp -85.88 -30.21 23.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.652 ' O ' HG22 ' A' ' 32' ' ' THR . 19.7 mt -68.15 -35.35 71.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.474 HG23 ' O ' ' A' ' 26' ' ' SER . 7.3 pt -70.04 -18.65 21.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.503 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -94.29 -39.91 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 29' ' ' ILE . 4.9 t -55.45 -28.63 55.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -73.45 -31.91 64.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.7 p -64.69 -24.8 67.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 36' ' ' THR . 18.7 m-70 -59.84 -25.57 65.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' HIS . 30.4 p 35.25 43.1 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.94 123.28 5.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -121.17 113.38 19.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 m -73.99 128.0 34.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.87 160.02 33.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -1.37 8.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.63 2.22 . . . . 0.0 112.396 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.1 t -63.89 95.7 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 m -48.25 -47.13 36.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.118 -0.824 . . . . 0.0 112.495 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 m 61.45 42.09 11.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 110.871 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -152.02 128.49 10.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.42 84.28 0.17 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -146.96 116.53 7.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -155.38 135.04 12.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.43 174.72 13.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.552 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.2 m -121.78 145.45 48.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.353 . . . . 0.0 111.122 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.24 154.05 20.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.502 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 18.2 ptp -122.46 131.15 53.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.81 137.1 10.33 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.722 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.626 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.76 -90.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.684 2.256 . . . . 0.0 112.37 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.626 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -109.72 19.75 18.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.4 HG22 ' CB ' ' A' ' 21' ' ' ALA . 59.6 t -75.53 134.27 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.37 117.95 6.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -79.58 12.49 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -111.08 -45.7 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.7 p -115.88 -31.98 5.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.82 3.86 28.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 4.8 tppt? -55.57 107.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' CB ' HG22 ' A' ' 14' ' ' VAL . . . -90.01 123.01 33.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 14.1 m-85 -116.33 176.96 4.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -87.25 -39.26 15.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.8 m -134.86 149.73 50.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.527 ' N ' ' CD2' ' A' ' 13' ' ' TYR . 31.5 ttpt -47.62 -43.9 26.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.434 ' HA ' HD12 ' A' ' 29' ' ' ILE . 1.1 t -45.28 -39.46 6.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -71.81 -31.07 66.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -78.96 -30.87 44.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.544 ' O ' HG22 ' A' ' 32' ' ' THR . 21.2 mt -71.65 -43.56 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.494 HD12 ' C ' ' A' ' 30' ' ' ILE . 2.7 pp -70.58 -14.1 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 34' ' ' THR . 2.3 t60 -94.44 -54.54 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 29' ' ' ILE . 11.9 t -40.22 -26.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.5 ptp180 -75.43 -41.39 56.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.2 p -50.01 -31.74 13.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -45.84 -34.05 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.9 p -84.56 45.03 1.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.67 55.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -104.29 -42.9 5.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -155.89 119.25 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.04 -91.89 0.44 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.446 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 85.23 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.24 . . . . 0.0 112.326 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.8 t -129.81 159.89 35.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.8 t -56.04 149.16 16.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.502 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_