data_2con_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 2con _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' ' ' SER . . . . . . . . . . . . . 24.4 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 45' ' ' SER . 5.8 m-85 -123.2 174.55 7.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.5 pt -156.16 162.04 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.0 mt -102.79 116.89 33.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -104.31 113.75 27.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.4 t -63.42 176.82 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -117.43 -71.45 0.74 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.92 -35.5 0.38 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 35' ' ' HIS . 23.6 p -113.1 -32.41 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.916 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 t80 74.91 38.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -105.75 143.44 33.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.3 p -104.25 134.23 47.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 t -124.72 130.22 51.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -61.87 89.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.437 ' CG ' ' HG3' ' A' ' 30' ' ' ARG . 2.5 t0 -176.39 125.64 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 75.2 mmm -108.37 19.18 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.05 -35.21 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.437 ' HG3' ' CG ' ' A' ' 27' ' ' ASP . 35.5 mtp180 -48.39 150.69 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.9 p -118.33 -18.43 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.584 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 27.0 m-85 -108.92 168.24 9.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.8 t -115.22 158.98 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.42 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -104.37 -46.7 1.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.41 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.9 t-160 -44.1 -60.88 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.3 p -107.27 -47.48 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.63 28.27 2.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -63.28 155.49 28.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.584 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 6.2 ttpt -103.97 15.91 27.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.6 t -144.74 129.9 18.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.9 mt -126.24 134.02 51.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.14 132.54 42.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -78.88 133.92 36.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 p -139.9 140.76 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.439 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 95.0 p -82.45 160.78 22.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.7 m -148.51 144.14 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.1 m -103.07 148.43 25.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.19 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 49' ' ' ASN . 42.5 mm -112.45 142.54 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.416 ' N ' HG22 ' A' ' 48' ' ' ILE . 24.6 t-20 -121.23 153.33 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -42.1 -44.61 3.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -66.74 -44.15 82.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.53 67.15 0.51 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.9 p -127.8 160.93 30.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 111.182 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 66.4 mt -113.82 129.5 56.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -127.1 124.23 38.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.928 0.394 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 6.0 m-85 -104.63 154.16 20.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.951 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.452 HD11 ' CG1' ' A' ' 44' ' ' VAL . 2.5 pp -140.7 159.13 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.8 mt -100.48 113.61 26.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 18' ' ' CYS . 48.9 ttt180 -107.62 95.0 5.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 17' ' ' ARG . 8.3 t -43.01 166.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -115.93 -52.78 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.98 -18.62 1.17 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.547 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 28.3 p -133.4 -22.75 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 47.8 m-85 70.87 40.38 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.4 tptt -112.56 143.61 43.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.8 p -100.05 146.72 26.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.4 t -139.95 125.59 19.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.7 p -63.44 89.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.446 ' CG ' ' HG3' ' A' ' 30' ' ' ARG . 3.4 t70 -175.6 147.87 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.9 mmt -125.83 9.73 7.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -134.96 32.47 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.446 ' HG3' ' CG ' ' A' ' 27' ' ' ASP . 27.0 mtt180 -109.11 114.28 27.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.3 p -87.94 -9.79 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.588 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 5.5 m-85 -122.63 167.68 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.9 t -118.64 159.58 23.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -106.72 -47.52 1.03 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.538 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 2.7 t60 -42.84 -56.19 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.7 p -111.68 -47.02 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.72 25.95 2.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -68.39 155.34 40.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.588 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 14.4 tttm -106.27 20.59 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.5 t -145.3 125.35 13.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.4 mt -121.56 142.95 49.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -106.25 116.31 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -68.84 133.29 48.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.459 HG21 ' N ' ' A' ' 45' ' ' SER . 6.9 p -140.88 141.73 31.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 85.1 p -83.44 153.08 24.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.0 m -144.06 137.51 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 50.4 m -91.26 145.8 24.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.3 mm -104.48 95.14 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -71.73 154.9 41.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -40.9 -59.46 1.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -59.63 -43.54 93.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.33 78.12 0.74 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.3 p -137.02 157.12 47.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.144 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.7 mt -95.6 120.33 35.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -112.44 98.42 7.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.6 mtm . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.564 ' CD2' ' HE2' ' A' ' 43' ' ' LYS . 10.0 m-85 -109.05 172.0 7.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.463 ' N ' ' HE3' ' A' ' 28' ' ' MET . 2.4 pp -158.32 159.67 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.42 HD12 ' CD1' ' A' ' 41' ' ' LEU . 77.9 mt -99.5 115.99 30.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.401 ' HG3' ' CG2' ' A' ' 24' ' ' THR . 10.7 ttp180 -104.83 94.24 5.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' LYS . 5.6 t -45.67 169.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -117.64 -52.52 2.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.2 -19.23 15.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.563 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 20.4 p -134.7 -0.69 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 2.1 p90 47.83 34.44 3.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 18' ' ' CYS . 40.7 tptt -99.51 155.0 17.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.401 ' CG2' ' HG3' ' A' ' 17' ' ' ARG . 69.3 p -114.82 145.58 41.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 t -140.06 134.27 31.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.195 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 86.1 p -73.39 90.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 26' ' ' SER . 8.1 m-20 -175.13 146.59 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.463 ' HE3' ' N ' ' A' ' 15' ' ' ILE . 14.2 mmt -124.08 21.07 8.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -134.86 -36.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -45.22 121.93 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 p -97.52 -10.53 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.59 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 6.0 m-85 -126.37 132.02 51.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 13.3 t -78.75 159.48 27.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.36 -42.5 2.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.488 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 2.3 t-160 -48.68 -58.68 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.832 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.5 p -108.95 -48.52 3.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.87 25.44 2.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -72.94 129.95 39.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.59 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -81.11 -2.26 47.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.445 ' O ' ' CG2' ' A' ' 40' ' ' THR . 5.8 t -117.66 119.71 35.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.42 ' CD1' HD12 ' A' ' 16' ' ' LEU . 41.7 mt -120.96 136.69 54.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.967 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -95.25 119.58 34.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.564 ' HE2' ' CD2' ' A' ' 14' ' ' TYR . 62.3 tttt -70.44 133.5 46.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.44 ' CG1' HD12 ' A' ' 15' ' ' ILE . 6.9 p -141.56 138.81 32.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.549 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 23.5 p -85.37 153.19 22.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.5 m -145.33 156.19 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.446 HG21 ' N ' ' A' ' 48' ' ' ILE . 84.8 m -116.56 144.21 44.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.446 ' N ' HG21 ' A' ' 47' ' ' THR . 49.6 mm -104.93 97.71 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -71.17 154.71 41.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -44.62 -50.87 9.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.94 -47.3 71.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.41 42.45 0.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.8 p -109.35 153.16 24.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.155 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.1 mt -96.57 154.64 17.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -133.52 118.79 18.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.8 mtt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.1 m . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 5.3 m-85 -118.06 156.71 28.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.907 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.436 HD11 ' CG1' ' A' ' 44' ' ' VAL . 2.1 pp -141.33 163.32 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.3 mt -100.06 114.44 27.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -95.83 111.44 23.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.73 175.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.448 ' NE2' ' HG2' ' A' ' 42' ' ' LYS . 2.5 m80 -116.7 -71.42 0.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' HIS . . . -38.09 -38.08 0.52 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 28.3 p -110.91 -30.2 7.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 28.6 m-85 73.89 35.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.411 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 2.6 tptp -97.18 178.53 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.5 p -131.43 133.03 44.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.0 t -125.74 126.9 45.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.145 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.3 p -67.1 92.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.474 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 5.9 t0 -175.4 137.77 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.6 mmt -117.07 20.66 13.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -134.96 -36.17 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.474 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 39.2 mtt180 -48.36 157.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.609 HG12 ' CD2' ' A' ' 32' ' ' PHE . 7.6 p -126.13 -19.52 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.609 ' CD2' HG12 ' A' ' 31' ' ' VAL . 78.1 m-85 -109.76 158.44 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.3 t -100.27 156.67 17.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.94 -48.82 3.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -55.03 -64.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 19.6 p -106.07 -47.74 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.439 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 98.32 91.48 1.96 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -121.65 145.54 47.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.875 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 20.5 mtpt -83.48 3.57 31.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.522 ' O ' ' CG2' ' A' ' 40' ' ' THR . 2.6 t -130.56 117.88 20.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.7 mt -123.28 131.53 53.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.448 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -94.08 125.29 38.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.789 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -76.78 132.38 39.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.436 ' CG1' HD11 ' A' ' 15' ' ' ILE . 4.9 p -141.16 146.96 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 23.4 p -90.63 144.07 26.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.1 m -137.94 134.62 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -88.47 154.46 20.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.2 mm -90.08 118.37 35.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -95.44 155.2 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -48.07 -43.63 30.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 52' ' ' GLY . 1.7 p30 -91.47 37.22 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' ASP . . . 33.88 76.41 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.0 p -136.57 138.34 41.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 111.125 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.54 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 86.9 mt -57.45 175.4 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 54' ' ' LEU . 68.3 m-70 -166.82 126.0 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.895 0.378 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 45' ' ' SER . 14.5 m-85 -107.77 155.78 19.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.8 pt -142.69 165.32 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.9 mt -102.83 114.29 28.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -97.41 114.35 26.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 t -69.75 165.93 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -118.91 -52.72 2.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.97 -19.78 1.1 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.554 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 22.8 p -134.95 -26.43 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 75.04 42.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -111.97 142.26 44.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.8 p -102.09 136.83 41.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.4 t -133.03 126.12 31.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -66.87 90.13 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.453 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 6.3 t0 -175.46 135.99 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mmm -115.3 21.85 13.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -134.45 -35.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.453 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 70.0 mtt-85 -46.61 123.13 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.565 HG12 ' CE2' ' A' ' 32' ' ' PHE . 9.9 p -90.24 -17.92 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 31' ' ' VAL . 89.8 m-85 -117.09 157.66 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 14.4 t -95.7 159.2 15.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.417 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -93.29 -43.68 3.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.461 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.554 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 2.4 t60 -59.0 -61.96 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 25.3 p -107.52 -48.62 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.421 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 99.38 83.83 1.75 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -117.53 152.84 34.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.403 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 26.5 mtpt -89.99 12.81 16.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.526 ' O ' ' CG2' ' A' ' 40' ' ' THR . 3.0 t -138.87 115.95 10.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.192 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.4 mt -124.59 139.76 53.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.8 132.57 45.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -77.18 138.19 39.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.473 HG23 ' N ' ' A' ' 45' ' ' SER . 2.7 p -143.19 140.4 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.561 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 83.0 p -86.59 146.01 26.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.409 ' CG1' ' HG3' ' A' ' 56' ' ' MET . 20.5 m -142.93 134.85 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.1 m -90.6 151.37 21.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.8 mm -116.11 135.59 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -106.51 155.28 19.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.55 -50.5 4.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.47 -44.51 96.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.26 72.35 0.42 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.2 p -127.01 161.75 27.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 111.102 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.2 mt -114.1 139.92 48.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -129.72 106.12 8.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.409 ' HG3' ' CG1' ' A' ' 46' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.899 0.38 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.47 ' CZ ' ' OG ' ' A' ' 45' ' ' SER . 3.9 m-85 -109.48 156.54 19.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.454 ' N ' ' HE1' ' A' ' 28' ' ' MET . 2.6 pp -139.19 158.89 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -99.4 113.13 25.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 37.5 ttt180 -102.13 110.64 22.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.94 177.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 21' ' ' CYS . 65.3 t-80 -117.93 -70.79 0.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.91 -24.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.626 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 29.3 p -127.94 -4.95 5.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.586 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 48.3 p90 47.29 38.53 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 1.8 mmmp? -95.44 179.81 5.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.6 p -136.08 149.28 48.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.9 t -147.03 115.07 6.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.458 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 2.8 m -62.51 91.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.49 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.2 m-20 -176.05 110.1 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.454 ' HE1' ' N ' ' A' ' 15' ' ' ILE . 10.3 mmt -91.22 29.67 1.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -135.01 -37.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.49 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 39.9 mtt-85 -59.59 144.75 46.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 p -116.79 -15.93 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.611 ' CE1' ' HG3' ' A' ' 39' ' ' LYS . 24.1 m-85 -102.87 172.33 6.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.8 t -117.22 153.9 32.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.13 -45.34 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.626 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 31.3 t60 -48.66 -70.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 19.2 p -93.09 -47.3 7.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 116.07 25.83 3.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.542 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -64.05 156.07 29.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.611 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 5.0 ttpt -104.02 10.06 36.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.8 t -138.04 127.42 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.1 mt -119.82 146.43 45.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -105.45 117.64 34.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -70.07 137.2 51.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.459 HG21 ' N ' ' A' ' 45' ' ' SER . 3.3 p -142.2 152.44 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.47 ' OG ' ' CZ ' ' A' ' 14' ' ' TYR . 1.4 m -90.63 133.36 35.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.2 m -136.1 121.83 29.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.1 m -85.7 147.17 26.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.4 mm -108.12 109.16 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.074 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' ASP . 1.4 t30 -84.62 154.45 22.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' ASN . 10.1 m-20 -38.09 -60.0 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -48.07 -49.73 30.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.47 49.4 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.525 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.6 p -114.19 155.2 26.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 111.125 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 35.4 mt -102.03 144.7 30.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -125.54 104.09 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.7 mmt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.3 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.882 0.372 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 45' ' ' SER . 6.6 m-85 -125.39 152.76 44.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.478 ' CD1' ' HG3' ' A' ' 17' ' ' ARG . 2.3 pp -138.08 160.4 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.0 mt -102.43 115.76 31.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.478 ' HG3' ' CD1' ' A' ' 15' ' ' ILE . 19.2 mtp180 -99.34 98.49 9.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.1 t -46.07 170.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.562 ' NE2' ' CG2' ' A' ' 40' ' ' THR . 31.7 p80 -118.93 -50.81 2.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.483 ' N ' ' CG ' ' A' ' 19' ' ' HIS . . . -53.94 -20.67 14.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.634 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 28.5 p -133.52 -17.82 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 65.26 36.2 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -100.6 167.87 10.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.467 HG21 ' CG ' ' A' ' 17' ' ' ARG . 17.0 p -119.09 142.01 48.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.2 t -137.04 122.97 20.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.4 p -64.29 89.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -175.03 154.35 1.8 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.7 mmt -131.01 8.74 4.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -132.66 32.56 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.7 mtt-85 -97.91 141.45 30.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.4 p -119.59 -5.65 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.584 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 3.7 m-85 -145.09 132.99 21.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 10.9 t -87.62 158.79 18.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.416 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.67 -43.95 1.74 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.634 ' CD2' ' CB ' ' A' ' 21' ' ' CYS . 6.8 t60 -43.42 -62.03 1.19 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.96 -48.52 3.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.39 68.57 0.61 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.413 ' OD1' ' CE1' ' A' ' 19' ' ' HIS . 1.8 m-80 -121.21 153.92 36.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.584 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 5.4 ttmt -99.73 9.92 42.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.562 ' CG2' ' NE2' ' A' ' 19' ' ' HIS . 6.0 t -125.24 113.27 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.45 ' C ' ' HD3' ' A' ' 42' ' ' LYS . 96.4 mt -110.95 149.04 31.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.45 ' HD3' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -112.65 114.05 26.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -73.93 136.4 43.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.437 ' CG1' HD11 ' A' ' 15' ' ' ILE . 3.9 p -142.31 150.37 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.126 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.56 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 85.7 p -92.11 153.78 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.3 m -137.94 128.78 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.476 HG21 ' N ' ' A' ' 48' ' ' ILE . 21.7 m -87.56 153.61 21.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.476 ' N ' HG21 ' A' ' 47' ' ' THR . 5.3 mp -91.18 128.94 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.459 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 28.6 t-20 -105.53 155.47 19.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 49' ' ' ASN . 76.5 m-20 -34.07 -63.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -64.68 -40.35 95.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.79 28.5 3.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.45 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -79.46 164.59 23.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 111.156 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.6 mt -76.46 125.07 28.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.459 ' CD2' ' HB2' ' A' ' 49' ' ' ASN . 80.2 m-70 -133.83 113.72 12.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.422 ' C ' HG21 ' A' ' 15' ' ' ILE . 3.5 m-85 -115.01 156.43 25.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.433 ' CD1' ' CG1' ' A' ' 44' ' ' VAL . 2.5 pp -140.28 164.78 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.3 mt -100.49 113.94 27.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -101.25 94.94 6.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 t -49.05 168.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -116.3 -53.41 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.34 -19.93 2.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.52 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.575 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 28.2 p -131.86 -16.96 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 63.94 31.57 13.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -101.01 167.81 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.7 p -122.71 144.87 48.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.1 t -138.82 120.98 15.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.5 p -65.34 88.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -176.9 112.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 74.4 mmm -94.52 26.46 3.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -133.03 -35.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -54.5 123.39 12.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.1 p -97.01 -12.73 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.634 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 20.5 m-85 -117.9 157.41 26.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.0 t -114.2 153.82 28.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.38 -38.52 2.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 3.2 t-160 -46.48 -54.6 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 110.829 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.7 p -116.16 -48.08 2.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.34 72.22 0.72 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -124.63 155.44 39.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.634 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 1.4 ttpt -99.33 5.28 46.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.502 ' O ' ' CG2' ' A' ' 40' ' ' THR . 5.1 t -123.19 116.62 23.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.2 mt -117.6 138.24 52.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -98.71 122.84 42.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -74.87 136.43 41.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 45' ' ' SER . 3.6 p -142.29 148.61 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 44' ' ' VAL . 2.9 m -82.61 161.62 22.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.6 m -154.73 118.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.418 HG21 ' N ' ' A' ' 48' ' ' ILE . 20.2 m -107.5 143.06 36.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.418 ' N ' HG21 ' A' ' 47' ' ' THR . 4.5 mp -94.74 111.38 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -77.21 152.41 34.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -43.79 -49.32 8.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.83 -43.62 98.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.43 68.16 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.7 p -138.83 162.61 34.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.847 0.356 . . . . 0.0 111.137 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.2 mp -98.23 159.39 14.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -135.56 115.87 13.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 41.5 mtt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.877 0.37 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 5.2 m-85 -119.68 153.26 35.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.472 HD11 ' CG1' ' A' ' 44' ' ' VAL . 2.4 pp -140.11 162.86 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.4 mt -99.18 112.13 24.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -96.71 116.78 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.5 t -69.67 163.53 25.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -115.85 -51.64 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.806 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -43.66 -26.53 0.73 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.467 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 30.2 p -129.43 -16.47 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.912 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.409 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 7.5 m-85 65.72 54.84 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -124.78 179.55 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.4 p -129.71 147.84 51.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.175 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.2 t -142.82 136.33 28.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 37.3 p -78.04 89.17 4.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 26' ' ' SER . 3.7 m-20 -175.78 120.84 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 14' ' ' TYR . 74.3 mmm -101.39 23.19 11.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -134.93 -35.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.0 mtt-85 -44.34 139.55 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.3 p -112.05 -15.18 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.674 ' CE1' ' HG2' ' A' ' 39' ' ' LYS . 5.7 m-85 -123.81 127.06 47.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.2 t -62.25 155.35 24.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.74 -42.1 3.95 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.467 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 51.6 t60 -58.4 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 27.3 p -104.65 -48.84 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.412 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 106.54 90.96 2.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -125.97 149.16 48.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.876 0.369 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.674 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 27.1 mtpt -91.35 6.61 44.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.521 ' O ' ' CG2' ' A' ' 40' ' ' THR . 5.0 t -135.17 113.95 11.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -119.46 135.4 54.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.85 123.07 36.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -73.43 136.42 44.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG1' HD11 ' A' ' 15' ' ' ILE . 3.8 p -143.1 146.08 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 96.4 p -83.18 154.04 24.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.4 m -152.97 133.21 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.3 m -88.88 142.39 27.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.4 mm -105.82 100.26 10.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -68.17 151.86 46.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -40.75 -46.78 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -63.88 -45.25 90.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.61 57.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.7 p -125.48 163.22 23.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mp -109.57 156.21 20.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -144.92 106.31 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.1 mtt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.482 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 14.5 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.878 0.371 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.577 ' CZ ' ' CB ' ' A' ' 45' ' ' SER . 4.7 m-85 -108.63 164.56 12.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.421 HG22 ' C ' ' A' ' 14' ' ' TYR . 4.9 pt -140.64 169.87 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.9 mt -108.56 115.52 30.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.455 ' CG ' HG22 ' A' ' 24' ' ' THR . 11.7 mtp-105 -97.79 106.43 18.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 t -61.74 165.67 4.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.5 ' CD2' ' HZ3' ' A' ' 42' ' ' LYS . 9.2 t-80 -116.16 -53.51 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.87 -18.33 1.06 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.434 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.511 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 32.1 p -133.53 -20.73 2.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 49.6 m-85 68.84 32.78 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -99.43 166.25 11.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.455 HG22 ' CG ' ' A' ' 17' ' ' ARG . 70.3 p -121.97 136.18 54.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.171 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -130.7 125.45 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.181 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.4 t -68.23 89.12 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.441 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.2 t0 -176.27 129.46 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.416 ' HE2' ' CA ' ' A' ' 15' ' ' ILE . 8.8 mmt -108.48 22.43 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -132.74 -37.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.441 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 15.8 mtt-85 -46.49 125.79 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 32' ' ' PHE . 10.5 p -94.01 -16.36 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.582 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 33.6 m-85 -114.16 177.82 4.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.1 t -123.14 158.12 31.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.822 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -102.16 -42.81 2.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.511 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 2.8 t-160 -48.44 -61.83 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.403 ' SG ' ' OD1' ' A' ' 38' ' ' ASN . 29.4 p -107.11 -48.35 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.14 31.67 1.83 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.528 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.403 ' OD1' ' SG ' ' A' ' 36' ' ' CYS . 6.4 m120 -70.72 155.16 41.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.582 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 4.7 ttpt -100.38 -0.91 37.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.427 ' O ' ' CG2' ' A' ' 40' ' ' THR . 6.5 t -123.77 120.17 31.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.5 mt -116.21 141.77 47.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.5 ' HZ3' ' CD2' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -101.74 128.88 47.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.852 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.505 ' HE2' ' CD2' ' A' ' 14' ' ' TYR . 21.6 tttm -76.98 138.07 39.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.455 ' CG1' ' HD3' ' A' ' 17' ' ' ARG . 2.2 p -138.79 146.53 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.577 ' CB ' ' CZ ' ' A' ' 14' ' ' TYR . 74.8 p -93.91 140.83 29.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 13' ' ' SER . 6.9 m -135.92 150.95 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.0 m -107.8 149.38 28.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.6 mm -108.6 105.11 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.171 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -75.7 155.36 35.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.97 -35.85 5.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 27.7 t70 -84.81 33.76 0.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 39.58 77.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.1 p -138.33 160.83 38.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 111.14 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.5 mp -111.39 135.42 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -128.54 108.41 10.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 5.4 m-85 -122.08 152.87 39.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.471 ' CA ' ' HE2' ' A' ' 28' ' ' MET . 2.5 pp -132.63 170.73 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.426 ' CD1' ' O ' ' A' ' 30' ' ' ARG . 85.4 mt -106.41 113.97 27.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -101.22 124.45 46.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.7 t -77.63 174.63 10.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -118.72 -68.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.44 -34.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.606 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 30.6 p -115.01 -31.7 5.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.896 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 t80 74.96 43.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.423 ' HG2' ' ND1' ' A' ' 35' ' ' HIS . 1.8 mptp? -114.37 153.25 30.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.1 p -109.55 141.61 41.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.2 t -133.71 125.96 29.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.457 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 79.7 p -61.52 90.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.457 ' CG ' ' O ' ' A' ' 26' ' ' SER . 5.2 m-20 -175.05 109.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.471 ' HE2' ' CA ' ' A' ' 15' ' ' ILE . 4.8 mmt -93.25 21.59 5.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -135.03 -35.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.426 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 56.6 mtt180 -55.67 139.06 46.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -107.27 -16.87 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.589 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 38.6 m-85 -102.23 169.17 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 11.7 t -112.8 160.18 18.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.447 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -102.88 -47.5 1.35 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.606 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 15.9 t60 -47.69 -68.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.828 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 23.0 p -96.63 -47.42 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 115.26 26.67 3.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -61.88 155.58 23.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.404 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.589 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -102.35 13.97 33.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.2 t -141.15 129.13 21.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.215 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.414 ' C ' ' HE2' ' A' ' 42' ' ' LYS . 89.8 mt -126.0 135.86 52.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HE2' ' C ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -93.81 121.91 35.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.419 ' HE3' ' CD2' ' A' ' 14' ' ' TYR . 15.8 ttpt -69.47 131.97 45.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.464 ' CG1' HD13 ' A' ' 15' ' ' ILE . 7.5 p -141.45 147.29 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 87.4 p -86.19 160.62 19.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 45' ' ' SER . 35.6 m -158.06 129.14 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -98.81 157.16 16.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.3 mp -106.44 94.1 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' ASP . 5.6 t-20 -78.93 153.71 30.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 50' ' ' ASP . 20.8 t0 -37.44 -59.27 0.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.85 -44.05 97.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.92 65.46 0.38 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.453 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.1 p -116.21 157.3 25.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 111.168 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.0 mt -109.42 95.68 5.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -76.53 111.08 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 48.3 mtt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 8.3 m-85 -127.79 151.82 48.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.457 HD13 ' CG1' ' A' ' 44' ' ' VAL . 2.7 pp -140.51 166.77 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 41' ' ' LEU . 74.1 mt -101.77 112.47 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.486 ' HG3' ' CG2' ' A' ' 24' ' ' THR . 15.2 ttm180 -101.14 100.21 10.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -58.04 168.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -115.52 -53.09 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.11 -17.36 0.95 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.578 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 28.0 p -134.67 -27.15 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 t80 75.0 33.22 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -102.68 157.68 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.486 ' CG2' ' HG3' ' A' ' 17' ' ' ARG . 72.5 p -118.58 139.62 51.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 25' ' ' THR . 5.3 t -132.34 126.21 32.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 3.1 m -70.43 88.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 26' ' ' SER . 11.1 m-20 -175.06 133.76 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.423 ' HE1' ' C ' ' A' ' 14' ' ' TYR . 17.4 mmt -112.14 30.11 7.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -135.0 -38.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.6 mtt-85 -47.67 123.82 6.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.82 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.1 p -97.36 -14.16 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.606 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 13.3 m-85 -122.48 151.82 40.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.41 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 8.5 t -97.55 154.58 17.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.76 -43.09 2.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 3.1 t-160 -45.75 -62.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.9 p -106.78 -48.26 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 33' ' ' CYS . . . 115.75 35.69 1.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -79.56 156.68 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.606 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 2.1 tttt -103.78 1.73 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.413 ' O ' ' CG2' ' A' ' 40' ' ' THR . 10.4 t -123.24 120.25 32.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 16' ' ' LEU . 71.4 mt -120.58 141.3 50.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.0 117.77 34.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HD3' ' CD2' ' A' ' 14' ' ' TYR . 7.9 ttmt -72.01 134.06 45.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.457 ' CG1' HD13 ' A' ' 15' ' ' ILE . 6.8 p -141.27 147.34 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 52.3 p -86.66 151.7 23.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 m -140.59 123.85 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.43 HG21 ' N ' ' A' ' 48' ' ' ILE . 33.5 m -97.13 150.9 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.45 HD13 ' N ' ' A' ' 48' ' ' ILE . 4.5 mp -109.67 107.72 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -74.05 154.19 39.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.89 -57.98 2.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -52.38 -49.14 65.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.51 68.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.4 p -136.58 147.76 47.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.148 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.2 mt -99.16 99.13 10.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -84.58 133.73 34.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.417 ' HB3' ' NH2' ' A' ' 17' ' ' ARG . 65.8 mtt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.874 0.369 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.521 ' CD2' ' HE3' ' A' ' 43' ' ' LYS . 4.8 m-85 -117.8 155.39 30.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 pt -133.61 165.09 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.7 mt -99.41 112.85 24.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -103.82 103.36 13.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 t -44.03 167.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.451 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 9.1 p-80 -120.22 -41.66 2.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.4 ' N ' ' CG ' ' A' ' 19' ' ' HIS . . . -61.08 -23.6 61.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.511 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -130.51 -11.21 4.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 63.97 36.5 10.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 24' ' ' THR . 3.8 tppp? -102.06 147.79 26.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.454 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 20.9 p -106.34 143.33 34.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 t -142.82 134.36 26.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -70.83 89.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.449 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.3 t0 -175.44 133.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.5 mmt -114.09 20.58 15.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -134.35 -37.17 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.449 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 64.7 mtt-85 -45.68 130.42 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.578 HG12 ' CD2' ' A' ' 32' ' ' PHE . 15.0 p -104.69 -13.17 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.578 ' CD2' HG12 ' A' ' 31' ' ' VAL . 80.8 m-85 -117.26 143.73 45.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.2 t -91.87 161.32 14.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.81 -50.41 1.65 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -52.05 -59.16 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 20.7 p -109.47 -47.95 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 98.45 89.38 1.94 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -126.26 151.95 46.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -90.14 5.48 46.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.549 ' O ' ' CG2' ' A' ' 40' ' ' THR . 3.7 t -132.72 113.44 12.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -109.67 140.32 43.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -95.61 121.47 37.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.521 ' HE3' ' CD2' ' A' ' 14' ' ' TYR . 10.5 ttpt -71.21 137.43 48.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 45' ' ' SER . 2.1 p -141.95 144.97 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 98.1 p -83.95 161.5 20.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.422 HG13 ' CG ' ' A' ' 56' ' ' MET . 20.0 m -154.54 135.79 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.4 m -99.1 146.63 25.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.4 mm -109.99 143.96 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' ASP . 3.1 t30 -125.13 152.39 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' ASN . 6.5 t70 -37.25 -50.41 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.806 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.29 -42.51 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.812 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.81 81.23 1.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.8 p -128.34 156.16 43.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.834 0.35 . . . . 0.0 111.089 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.7 mt -105.68 110.08 22.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -111.68 103.53 11.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.422 ' CG ' HG13 ' A' ' 46' ' ' VAL . 9.4 mtt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.861 0.362 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 5.4 m-85 -100.14 164.0 12.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.47 HD11 ' CG1' ' A' ' 44' ' ' VAL . 2.2 pp -152.64 161.11 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.5 mt -100.34 114.01 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.442 ' HD2' ' CE ' ' A' ' 56' ' ' MET . 51.8 ttt-85 -98.95 99.55 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 22' ' ' PHE . 51.6 t -57.23 164.8 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -116.43 -50.59 2.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.68 -32.87 1.42 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.463 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 29.4 p -126.43 -20.13 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.872 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 47.4 m-85 72.81 49.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.557 ' HE3' ' CE1' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -118.61 157.31 27.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.408 ' CG2' ' HG3' ' A' ' 17' ' ' ARG . 33.2 p -116.18 145.65 42.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.4 t -142.82 128.65 19.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 49.7 p -66.32 89.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.467 ' CG ' ' O ' ' A' ' 26' ' ' SER . 8.9 m-20 -175.96 158.56 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.464 ' HE2' ' N ' ' A' ' 15' ' ' ILE . 8.4 mmt -134.78 27.04 3.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 30' ' ' ARG . 9.0 m-20 -134.63 -40.15 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.473 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -32.64 114.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.588 HG11 ' CD2' ' A' ' 32' ' ' PHE . 7.7 p -91.93 -9.2 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.588 ' CD2' HG11 ' A' ' 31' ' ' VAL . 59.9 m-85 -139.26 104.98 5.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 32' ' ' PHE . 41.2 t -35.77 153.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -91.61 -43.64 4.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.557 ' CE1' ' HE3' ' A' ' 23' ' ' LYS . 18.7 t60 -58.68 -66.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 23.7 p -104.23 -48.73 3.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 108.82 96.13 2.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -126.11 150.89 47.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 110.916 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.451 ' CG ' ' CE1' ' A' ' 32' ' ' PHE . 32.3 mtpt -92.91 6.35 48.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.513 ' O ' ' CG2' ' A' ' 40' ' ' THR . 5.2 t -137.31 115.13 11.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 30' ' ' ARG . 50.4 mt -116.32 134.68 54.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -98.31 116.46 30.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -70.83 134.76 47.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG1' HD11 ' A' ' 15' ' ' ILE . 4.9 p -142.84 141.78 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.151 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 90.2 p -84.97 146.94 26.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.0 m -137.99 116.23 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 48' ' ' ILE . 22.3 m -88.36 143.79 26.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.427 ' N ' HG23 ' A' ' 47' ' ' THR . 4.8 mp -97.84 150.92 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' ASP . 24.1 t-20 -125.92 153.59 44.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' ASN . 1.2 m-20 -37.66 -60.76 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.53 -44.06 93.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.93 71.6 0.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.5 p -129.98 145.17 51.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.809 0.338 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.2 mt -82.35 152.34 26.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -127.53 82.29 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.442 ' CE ' ' HD2' ' A' ' 17' ' ' ARG . 25.1 mtp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 9.7 m-85 -106.44 160.2 15.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 pt -143.08 162.79 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.424 ' CD1' HD11 ' A' ' 41' ' ' LEU . 93.0 mt -99.82 115.28 29.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -97.5 123.21 41.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.6 t -77.55 168.78 19.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.553 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 56.0 t-80 -106.29 -73.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.59 -68.18 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 17.7 p -76.23 -29.15 57.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 19' ' ' HIS . 61.4 m-85 66.2 43.49 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 43.1 mmtt -108.85 150.81 27.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.7 p -108.13 137.33 46.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.155 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.9 t -133.37 131.93 40.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 28.6 t -73.48 90.02 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.46 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.3 m-20 -175.49 109.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 81.3 mmm -93.34 27.22 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -134.98 -34.08 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.46 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 44.1 mtt180 -51.84 141.37 17.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.586 HG11 ' CE2' ' A' ' 32' ' ' PHE . 14.7 p -109.76 -15.81 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.586 ' CE2' HG11 ' A' ' 31' ' ' VAL . 57.4 m-85 -120.54 110.36 16.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 32' ' ' PHE . 14.7 t -37.96 157.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -86.46 -45.61 5.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 44.3 t60 -61.64 -74.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 24.4 p -90.62 -48.7 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 97.3 84.57 1.75 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -114.3 155.21 26.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.904 0.383 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -86.27 7.76 24.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.522 ' O ' ' CG2' ' A' ' 40' ' ' THR . 4.8 t -134.16 114.15 12.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.424 HD11 ' CD1' ' A' ' 16' ' ' LEU . 83.8 mt -123.22 134.01 54.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -95.18 123.92 38.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -72.41 135.92 45.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 p -142.23 143.1 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 68.0 p -85.26 148.88 25.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.1 m -146.37 147.96 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -109.9 154.4 23.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.4 mm -105.76 96.73 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -82.13 155.37 25.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.18 -36.03 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 52' ' ' GLY . 23.3 t0 -83.64 35.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 51' ' ' ASP . . . 32.73 60.73 0.39 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.498 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.7 p -126.91 157.45 39.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.3 mt -110.03 147.27 33.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -113.1 132.87 55.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.869 0.366 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 6.4 m-85 -134.9 149.84 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.424 HD13 ' CG1' ' A' ' 44' ' ' VAL . 2.1 pp -137.73 163.75 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.152 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.2 mt -99.87 114.23 27.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -104.68 115.35 30.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.8 t -59.48 -179.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -116.39 -70.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.89 -26.4 1.17 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.52 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 23' ' ' LYS . 26.6 p -125.2 3.36 7.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' CYS . 20.7 p90 36.39 32.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' CYS . 6.3 tptm -87.5 165.67 15.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.7 p -123.54 146.64 47.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.4 t -141.07 130.5 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.459 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 64.3 p -68.15 88.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.459 ' CG ' ' O ' ' A' ' 26' ' ' SER . 4.6 m-20 -177.22 141.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 14' ' ' TYR . 64.0 mmm -121.87 21.72 10.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -131.98 -34.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.458 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 49.5 mtt-85 -50.67 147.93 4.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.7 p -118.17 -17.69 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.625 ' CE1' ' HG2' ' A' ' 39' ' ' LYS . 2.9 m-85 -109.74 154.38 23.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.449 ' HB3' ' CA ' ' A' ' 37' ' ' GLY . 17.3 t -98.17 149.19 22.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.01 -44.29 7.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -60.4 -74.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 19.9 p -95.73 -47.63 6.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.449 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . . . 102.08 95.45 2.27 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -127.08 139.33 53.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.917 0.389 . . . . 0.0 110.83 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.625 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 37.2 mttt -80.29 -0.47 36.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.512 ' O ' ' CG2' ' A' ' 40' ' ' THR . 6.5 t -127.66 112.36 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.5 mt -114.07 135.87 53.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -96.97 120.21 36.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.408 ' HG3' ' CE ' ' A' ' 28' ' ' MET . 18.6 ttmt -73.59 137.58 44.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.442 HG21 ' N ' ' A' ' 45' ' ' SER . 2.6 p -142.13 150.19 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 24.4 p -84.48 161.32 20.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.4 m -150.06 130.38 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.3 m -85.5 152.47 23.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.455 HD13 ' N ' ' A' ' 48' ' ' ILE . 4.6 mp -106.21 139.16 28.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.436 ' N ' HG23 ' A' ' 48' ' ' ILE . 2.4 t30 -116.16 153.7 31.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -38.58 -52.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.35 -42.72 87.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.19 47.78 0.8 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.6 p -108.1 137.76 45.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 111.113 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.547 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 7.4 mt -70.95 162.26 29.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 54' ' ' LEU . 91.9 m-70 -164.49 120.76 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 3.5 m-30 -101.67 155.56 18.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.465 ' CA ' ' HE2' ' A' ' 28' ' ' MET . 2.2 pt -139.42 179.29 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.111 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.5 mt -116.59 112.9 21.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -100.34 89.74 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.1 t -49.17 166.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -113.69 -51.8 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.09 -17.79 0.68 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.595 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 24.8 p -133.97 -27.49 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.5 t80 74.81 30.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -109.74 153.83 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.7 p -100.7 147.63 25.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.439 ' O ' ' CG2' ' A' ' 25' ' ' THR . 5.5 t -135.76 121.62 19.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.432 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 47.5 p -61.48 89.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 26' ' ' SER . 13.2 m-20 -175.09 153.78 1.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.847 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.465 ' HE2' ' CA ' ' A' ' 15' ' ' ILE . 11.9 mmt -130.99 6.3 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -134.95 32.2 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.483 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 30.9 mtt-85 -109.63 111.31 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.414 HG13 ' CD2' ' A' ' 32' ' ' PHE . 9.0 p -82.8 -11.49 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 39' ' ' LYS . 30.5 m-85 -120.04 175.46 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.0 t -124.9 158.24 34.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.07 -44.56 1.73 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.595 ' CD2' ' CB ' ' A' ' 21' ' ' CYS . 6.7 t60 -47.33 -64.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.2 p -101.78 -47.92 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.29 31.18 2.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.462 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.4 ' OD1' HG22 ' A' ' 40' ' ' THR . 0.8 OUTLIER -73.27 155.84 39.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.872 -179.874 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.566 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 9.5 tttm -101.89 23.26 11.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.4 HG22 ' OD1' ' A' ' 38' ' ' ASN . 5.2 t -148.76 130.18 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.483 ' CD1' ' O ' ' A' ' 30' ' ' ARG . 51.4 mt -127.17 145.47 50.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -108.25 114.18 27.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -70.03 137.73 51.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.426 HG12 HG13 ' A' ' 15' ' ' ILE . 6.3 p -143.21 148.11 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 24.6 p -92.75 155.72 17.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.2 m -137.47 123.17 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.0 m -95.9 141.17 29.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.6 mp -94.42 127.99 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -105.25 154.43 20.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -40.94 -52.67 3.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.39 -48.04 77.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.18 38.95 0.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 55.8 p -105.42 162.46 13.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 0.0 111.124 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.0 mt -112.91 118.58 35.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -88.5 102.16 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 47.8 mtp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.872 0.367 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.574 ' CD2' ' HE2' ' A' ' 43' ' ' LYS . 6.7 m-85 -115.48 171.56 7.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.487 HD11 ' CG1' ' A' ' 44' ' ' VAL . 2.1 pp -158.62 163.43 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -101.18 113.4 26.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 17' ' ' ARG . 34.9 ttt180 -101.28 104.86 15.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 t -55.37 161.14 2.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.402 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 24.3 t-80 -117.09 -51.75 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.02 -23.73 1.19 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.616 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 29.8 p -130.12 -14.41 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.884 0.373 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 19' ' ' HIS . 76.8 m-85 63.8 53.12 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 23.3 mmtt -126.89 152.74 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.9 p -108.53 145.1 35.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.5 t -141.99 136.47 30.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 73.3 p -83.55 88.51 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 26' ' ' SER . 6.6 m-20 -176.42 105.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.4 mtp -88.28 19.81 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -134.61 28.26 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -110.2 111.88 23.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 7.9 p -79.82 -10.84 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 39' ' ' LYS . 4.7 m-85 -138.17 148.09 44.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.7 t -85.1 159.01 20.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -98.33 -37.85 4.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.616 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 18.0 t60 -56.44 -62.25 1.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 0.0 110.834 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.6 p -103.3 -51.72 3.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.41 70.39 0.66 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -121.87 141.21 51.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.902 0.382 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -83.2 10.78 7.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.501 ' O ' ' CG2' ' A' ' 40' ' ' THR . 3.6 t -123.58 117.16 24.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.8 mt -125.21 138.94 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -100.45 124.7 46.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HE2' ' CD2' ' A' ' 14' ' ' TYR . 70.3 tttt -75.46 134.89 40.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.487 ' CG1' HD11 ' A' ' 15' ' ' ILE . 7.1 p -144.22 140.68 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 81.2 p -84.52 143.54 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.805 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.4 m -141.69 117.64 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.8 m -98.29 144.05 28.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.3 mp -94.63 144.85 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -112.66 153.01 28.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -43.0 -46.69 5.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.89 -42.92 89.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.17 74.58 0.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.3 p -135.79 162.27 33.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 111.138 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 mp -105.8 116.41 31.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -101.32 99.54 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 30.9 mtt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 45' ' ' SER . 4.6 m-85 -117.32 153.14 33.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.416 ' C ' HD13 ' A' ' 15' ' ' ILE . 2.3 pp -135.91 163.67 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.1 mt -107.01 115.14 29.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.507 ' CB ' HG21 ' A' ' 24' ' ' THR . 7.4 ptt-85 -108.96 126.21 52.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' LYS . 4.9 t -52.31 172.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 42' ' ' LYS . 1.3 m170 -109.43 -71.47 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.56 -69.56 0.47 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.581 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 29.5 p -68.42 -30.99 70.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.4 t80 75.03 45.52 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -105.75 172.78 6.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.507 HG21 ' CB ' ' A' ' 17' ' ' ARG . 40.6 p -128.6 157.16 42.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 t -152.75 125.1 8.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.7 p -68.6 89.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -175.74 149.99 1.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.5 mmm -124.09 23.9 8.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 30' ' ' ARG . 0.8 OUTLIER -129.11 -37.6 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' ASN . 40.8 mtt-85 -37.02 146.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -129.62 -6.12 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.613 ' CZ ' ' CG ' ' A' ' 39' ' ' LYS . 2.7 m-85 -141.62 134.96 29.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 10.5 t -82.53 157.01 23.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.401 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.02 -38.25 2.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.54 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 20.1 t60 -50.02 -57.22 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.9 p -110.82 -49.04 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.71 75.4 0.76 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -126.61 137.72 53.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.613 ' CG ' ' CZ ' ' A' ' 32' ' ' PHE . 6.3 tmtt? -87.28 9.11 21.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.529 HG23 ' CE1' ' A' ' 19' ' ' HIS . 14.1 t -127.41 110.38 12.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' C ' ' NE2' ' A' ' 19' ' ' HIS . 93.7 mt -104.36 172.72 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -127.84 128.18 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.818 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -77.98 129.68 35.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 p -141.31 137.82 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 34.6 t -82.94 148.6 27.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.8 m -133.76 141.09 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.115 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -91.63 154.2 19.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.438 HD11 ' N ' ' A' ' 48' ' ' ILE . 5.0 mp -105.83 117.72 52.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ASP . 4.3 m120 -91.36 151.56 20.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -36.86 -68.61 0.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -54.37 -44.35 72.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.54 60.25 0.28 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.2 p -114.35 164.43 13.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.848 0.356 . . . . 0.0 111.121 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mp -94.5 141.89 28.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -145.95 109.47 4.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.4 mtt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.851 0.357 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 45' ' ' SER . 3.8 m-85 -111.48 163.49 13.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 pt -142.6 169.13 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.7 mt -109.27 112.86 25.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 ttp-105 -93.18 107.64 19.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.5 t -56.4 170.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.462 ' CE1' HG21 ' A' ' 40' ' ' THR . 1.2 m170 -118.55 -52.29 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.97 -20.17 8.04 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 31.7 p -131.33 -23.92 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.412 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 35.9 m-85 71.62 35.49 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -103.51 169.02 8.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.2 p -121.66 143.28 49.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.8 t -138.89 127.31 22.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -65.77 91.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -175.14 136.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.9 mmt -116.08 23.16 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -134.9 -37.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -43.5 138.59 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.9 p -115.93 -9.68 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 1.2 m-85 -131.03 138.22 49.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 13.0 t -85.54 158.89 20.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -101.56 -41.13 2.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.406 ' CD2' ' CB ' ' A' ' 21' ' ' CYS . 23.5 t60 -52.43 -61.81 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 31.4 p -106.5 -48.77 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.402 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 106.56 84.79 1.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.414 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 3.8 m-20 -126.36 140.55 52.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.884 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 2.7 tttm -87.61 7.11 31.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.521 ' O ' ' CG2' ' A' ' 40' ' ' THR . 2.2 t -133.85 117.29 16.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.148 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.8 mt -120.8 139.11 53.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HG2' ' CE1' ' A' ' 19' ' ' HIS . 23.0 mmtt -96.83 127.6 42.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.465 ' CE ' ' CD2' ' A' ' 14' ' ' TYR . 69.1 tttt -77.87 136.93 38.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.439 HG21 ' N ' ' A' ' 45' ' ' SER . 3.2 p -143.03 144.43 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 21.5 t -86.88 154.75 20.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.455 HG11 ' CG ' ' A' ' 56' ' ' MET . 17.4 m -143.39 156.62 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.1 m -118.75 141.55 48.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.3 mm -101.3 100.61 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -77.22 153.32 34.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -41.84 -49.27 4.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.85 -43.06 94.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.95 38.67 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 61.6 p -106.4 158.82 16.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 111.134 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.3 mt -103.14 163.72 12.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -129.75 82.02 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.455 ' CG ' HG11 ' A' ' 46' ' ' VAL . 21.2 mtp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -58.49 152.02 18.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.7 m -154.18 122.89 6.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.65 -163.01 37.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -168.94 137.39 2.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.354 . . . . 0.0 110.891 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.476 ' O ' ' C ' ' A' ' 7' ' ' GLY . 5.7 t -136.56 163.63 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -31.75 118.17 0.12 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.446 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -106.92 121.77 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.463 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER -76.46 176.21 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -74.5 126.6 31.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -119.52 136.1 54.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.437 ' HB3' ' CE1' ' A' ' 14' ' ' TYR . 55.8 mmt-85 -120.41 87.15 2.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.4 p -67.9 108.46 3.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 45' ' ' SER . 5.8 m-85 -123.2 174.55 7.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.5 pt -156.16 162.04 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.0 mt -102.79 116.89 33.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -104.31 113.75 27.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.4 t -63.42 176.82 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -117.43 -71.45 0.74 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.92 -35.5 0.38 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 35' ' ' HIS . 23.6 p -113.1 -32.41 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.916 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 t80 74.91 38.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -105.75 143.44 33.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.3 p -104.25 134.23 47.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 t -124.72 130.22 51.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -61.87 89.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.437 ' CG ' ' HG3' ' A' ' 30' ' ' ARG . 2.5 t0 -176.39 125.64 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 75.2 mmm -108.37 19.18 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.05 -35.21 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.437 ' HG3' ' CG ' ' A' ' 27' ' ' ASP . 35.5 mtp180 -48.39 150.69 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.9 p -118.33 -18.43 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.584 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 27.0 m-85 -108.92 168.24 9.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.8 t -115.22 158.98 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.42 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -104.37 -46.7 1.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.41 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.9 t-160 -44.1 -60.88 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.3 p -107.27 -47.48 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.63 28.27 2.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -63.28 155.49 28.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.584 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 6.2 ttpt -103.97 15.91 27.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.6 t -144.74 129.9 18.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.9 mt -126.24 134.02 51.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.14 132.54 42.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -78.88 133.92 36.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 p -139.9 140.76 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.439 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 95.0 p -82.45 160.78 22.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.7 m -148.51 144.14 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.1 m -103.07 148.43 25.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.19 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 49' ' ' ASN . 42.5 mm -112.45 142.54 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.416 ' N ' HG22 ' A' ' 48' ' ' ILE . 24.6 t-20 -121.23 153.33 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -42.1 -44.61 3.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -66.74 -44.15 82.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.53 67.15 0.51 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.9 p -127.8 160.93 30.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 111.182 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 66.4 mt -113.82 129.5 56.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -127.1 124.23 38.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -121.85 105.92 10.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -65.26 108.94 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -103.02 160.4 14.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.4 m -81.31 121.75 26.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -39.21 145.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -115.88 153.69 48.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 95.11 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.656 2.238 . . . . 0.0 112.392 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -110.19 84.57 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.7 m -56.04 174.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.6 tp -142.56 154.5 44.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -107.32 157.66 35.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.587 0.708 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 148.08 64.5 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.397 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -94.52 170.19 9.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.37 -161.08 10.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 pp -145.85 160.59 41.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -115.49 154.25 29.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -134.21 177.14 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 t -144.27 175.88 9.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.9 m -147.72 178.07 8.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.823 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.09 -165.14 13.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -175.23 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.728 2.285 . . . . 0.0 112.317 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 p -122.3 -53.98 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 93.8 p -174.71 179.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -104.39 121.28 43.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -81.97 -58.75 2.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.03 81.38 1.54 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -101.72 -50.11 3.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -112.51 117.06 31.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.78 74.37 0.35 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.554 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 9' ' ' ARG . 95.0 t -101.11 140.51 19.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.814 0.34 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.463 ' N ' HG12 ' A' ' 8' ' ' VAL . 31.1 mtp180 -94.06 -53.51 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -81.4 97.79 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.98 109.0 7.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -119.5 80.27 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.6 m -87.78 108.96 19.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 6.0 m-85 -104.63 154.16 20.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.951 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.452 HD11 ' CG1' ' A' ' 44' ' ' VAL . 2.5 pp -140.7 159.13 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.8 mt -100.48 113.61 26.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 18' ' ' CYS . 48.9 ttt180 -107.62 95.0 5.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 17' ' ' ARG . 8.3 t -43.01 166.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -115.93 -52.78 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.98 -18.62 1.17 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.547 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 28.3 p -133.4 -22.75 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 47.8 m-85 70.87 40.38 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.4 tptt -112.56 143.61 43.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.8 p -100.05 146.72 26.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.4 t -139.95 125.59 19.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.7 p -63.44 89.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.446 ' CG ' ' HG3' ' A' ' 30' ' ' ARG . 3.4 t70 -175.6 147.87 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.9 mmt -125.83 9.73 7.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -134.96 32.47 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.446 ' HG3' ' CG ' ' A' ' 27' ' ' ASP . 27.0 mtt180 -109.11 114.28 27.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.3 p -87.94 -9.79 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.588 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 5.5 m-85 -122.63 167.68 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.9 t -118.64 159.58 23.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -106.72 -47.52 1.03 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.538 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 2.7 t60 -42.84 -56.19 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.7 p -111.68 -47.02 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.72 25.95 2.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -68.39 155.34 40.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.588 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 14.4 tttm -106.27 20.59 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.5 t -145.3 125.35 13.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.4 mt -121.56 142.95 49.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -106.25 116.31 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -68.84 133.29 48.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.459 HG21 ' N ' ' A' ' 45' ' ' SER . 6.9 p -140.88 141.73 31.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 85.1 p -83.44 153.08 24.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.0 m -144.06 137.51 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 50.4 m -91.26 145.8 24.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.3 mm -104.48 95.14 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -71.73 154.9 41.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -40.9 -59.46 1.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -59.63 -43.54 93.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.33 78.12 0.74 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.3 p -137.02 157.12 47.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.144 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.7 mt -95.6 120.33 35.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -112.44 98.42 7.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.6 mtm -117.79 102.69 9.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -72.64 101.25 2.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -93.64 42.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 m -83.42 39.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -112.99 43.21 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -106.41 152.15 40.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.644 0.735 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.708 2.272 . . . . 0.0 112.327 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -100.32 -58.57 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.6 m -75.63 156.39 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.4 mt -114.3 149.98 35.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -62.57 149.86 87.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.589 0.709 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.89 8.57 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.286 . . . . 0.0 112.318 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -63.48 129.21 39.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.52 -124.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.51 177.18 5.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -110.39 161.65 15.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -48.84 133.15 17.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.0 m -85.94 -61.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.6 t -173.95 167.86 4.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.3 102.94 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 161.4 46.08 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.644 2.229 . . . . 0.0 112.344 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.7 p -125.11 121.35 34.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.1 m -77.29 -60.56 2.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.2 p -171.86 135.27 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -125.67 142.82 51.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.55 116.69 5.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.455 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -79.96 45.09 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.919 0.39 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -69.48 -55.38 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.94 -136.99 4.56 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.8 p -114.6 140.55 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 111.109 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -162.98 144.71 10.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -90.2 126.79 35.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -108.09 121.52 44.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -136.26 153.09 51.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 m -105.36 113.44 27.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.564 ' CD2' ' HE2' ' A' ' 43' ' ' LYS . 10.0 m-85 -109.05 172.0 7.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.463 ' N ' ' HE3' ' A' ' 28' ' ' MET . 2.4 pp -158.32 159.67 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.42 HD12 ' CD1' ' A' ' 41' ' ' LEU . 77.9 mt -99.5 115.99 30.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.401 ' HG3' ' CG2' ' A' ' 24' ' ' THR . 10.7 ttp180 -104.83 94.24 5.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' LYS . 5.6 t -45.67 169.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -117.64 -52.52 2.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.2 -19.23 15.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.563 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 20.4 p -134.7 -0.69 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 2.1 p90 47.83 34.44 3.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 18' ' ' CYS . 40.7 tptt -99.51 155.0 17.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.401 ' CG2' ' HG3' ' A' ' 17' ' ' ARG . 69.3 p -114.82 145.58 41.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 t -140.06 134.27 31.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.195 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 86.1 p -73.39 90.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 26' ' ' SER . 8.1 m-20 -175.13 146.59 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.463 ' HE3' ' N ' ' A' ' 15' ' ' ILE . 14.2 mmt -124.08 21.07 8.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -134.86 -36.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -45.22 121.93 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 p -97.52 -10.53 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.59 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 6.0 m-85 -126.37 132.02 51.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 13.3 t -78.75 159.48 27.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.36 -42.5 2.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.488 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 2.3 t-160 -48.68 -58.68 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.832 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.5 p -108.95 -48.52 3.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.87 25.44 2.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -72.94 129.95 39.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.59 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -81.11 -2.26 47.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.445 ' O ' ' CG2' ' A' ' 40' ' ' THR . 5.8 t -117.66 119.71 35.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.42 ' CD1' HD12 ' A' ' 16' ' ' LEU . 41.7 mt -120.96 136.69 54.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.967 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -95.25 119.58 34.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.564 ' HE2' ' CD2' ' A' ' 14' ' ' TYR . 62.3 tttt -70.44 133.5 46.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.44 ' CG1' HD12 ' A' ' 15' ' ' ILE . 6.9 p -141.56 138.81 32.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.549 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 23.5 p -85.37 153.19 22.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.5 m -145.33 156.19 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.446 HG21 ' N ' ' A' ' 48' ' ' ILE . 84.8 m -116.56 144.21 44.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.446 ' N ' HG21 ' A' ' 47' ' ' THR . 49.6 mm -104.93 97.71 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -71.17 154.71 41.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -44.62 -50.87 9.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.94 -47.3 71.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.41 42.45 0.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.8 p -109.35 153.16 24.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.155 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.1 mt -96.57 154.64 17.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -133.52 118.79 18.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.8 mtt -127.19 124.98 40.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -66.08 140.01 58.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -151.1 134.58 16.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.412 ' HG ' ' N ' ' A' ' 60' ' ' ARG . 42.5 t -49.48 153.05 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' N ' ' HG ' ' A' ' 59' ' ' SER . 17.9 ttt-85 -58.94 122.97 14.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.806 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -125.74 159.37 61.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.626 0.727 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.724 2.283 . . . . 0.0 112.353 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.86 25.03 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.2 m -40.9 132.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 66' ' ' ASN . 19.8 tp -149.57 152.87 36.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.401 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 29.6 t30 -92.89 112.18 54.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.595 0.712 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 158.13 58.01 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.64 119.04 33.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.51 -76.19 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.433 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.1 tp -119.77 127.77 53.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -69.43 164.24 23.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -86.77 169.0 13.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.3 m -132.52 177.58 7.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -103.89 167.73 9.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 158.96 93.95 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.429 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 143.08 49.23 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.659 2.239 . . . . 0.0 112.288 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.9 m -159.54 130.88 6.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 t -153.35 177.3 11.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -54.16 135.02 44.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.899 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -103.83 -55.89 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.86 -137.67 7.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.53 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -118.67 139.66 51.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.822 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 p -57.45 118.43 5.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.72 56.26 0.71 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' ARG . 75.6 t -106.31 143.35 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.818 0.342 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 8' ' ' VAL . 3.4 tpp85 -33.7 132.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.95 138.62 39.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.81 130.81 35.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.061 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -97.94 147.33 24.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.1 m -122.75 109.02 13.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 5.3 m-85 -118.06 156.71 28.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.907 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.436 HD11 ' CG1' ' A' ' 44' ' ' VAL . 2.1 pp -141.33 163.32 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.3 mt -100.06 114.44 27.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -95.83 111.44 23.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.73 175.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.448 ' NE2' ' HG2' ' A' ' 42' ' ' LYS . 2.5 m80 -116.7 -71.42 0.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' HIS . . . -38.09 -38.08 0.52 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 28.3 p -110.91 -30.2 7.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 28.6 m-85 73.89 35.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.411 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 2.6 tptp -97.18 178.53 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.5 p -131.43 133.03 44.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.0 t -125.74 126.9 45.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.145 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.3 p -67.1 92.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.474 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 5.9 t0 -175.4 137.77 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.6 mmt -117.07 20.66 13.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -134.96 -36.17 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.474 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 39.2 mtt180 -48.36 157.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.609 HG12 ' CD2' ' A' ' 32' ' ' PHE . 7.6 p -126.13 -19.52 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.609 ' CD2' HG12 ' A' ' 31' ' ' VAL . 78.1 m-85 -109.76 158.44 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.3 t -100.27 156.67 17.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.94 -48.82 3.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -55.03 -64.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 19.6 p -106.07 -47.74 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.439 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 98.32 91.48 1.96 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -121.65 145.54 47.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.875 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 20.5 mtpt -83.48 3.57 31.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.522 ' O ' ' CG2' ' A' ' 40' ' ' THR . 2.6 t -130.56 117.88 20.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.7 mt -123.28 131.53 53.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.448 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -94.08 125.29 38.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.789 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -76.78 132.38 39.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.436 ' CG1' HD11 ' A' ' 15' ' ' ILE . 4.9 p -141.16 146.96 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 23.4 p -90.63 144.07 26.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.1 m -137.94 134.62 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -88.47 154.46 20.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.2 mm -90.08 118.37 35.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -95.44 155.2 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -48.07 -43.63 30.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 52' ' ' GLY . 1.7 p30 -91.47 37.22 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' ASP . . . 33.88 76.41 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.0 p -136.57 138.34 41.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 111.125 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.54 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 86.9 mt -57.45 175.4 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 54' ' ' LEU . 68.3 m-70 -166.82 126.0 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -134.2 150.48 51.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -88.92 129.0 35.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -150.53 157.08 42.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.7 t -112.09 130.61 55.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -80.52 104.75 11.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -102.12 152.58 38.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.743 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 107.21 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.654 2.236 . . . . 0.0 112.39 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -85.12 101.15 12.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.8 m -101.2 160.54 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.5 mt -145.28 166.01 26.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -38.05 141.65 0.5 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 158.83 55.63 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.367 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -38.88 147.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -125.27 -60.59 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.408 ' N ' HD22 ' A' ' 70' ' ' LEU . 3.9 mm? -43.94 131.78 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.96 175.4 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -100.9 170.79 8.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -115.21 156.38 25.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 61.6 m -118.72 164.9 14.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.44 145.0 17.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 177.53 5.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.719 2.28 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -135.46 166.74 22.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 t -140.58 177.29 8.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.828 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.508 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 3' ' ' SER . 19.9 m -105.49 102.48 11.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.899 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 2' ' ' SER . 32.6 p -36.85 -43.67 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.89 76.14 0.38 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 m -48.77 119.82 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.829 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 m -149.1 151.11 33.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.75 63.32 2.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.1 t -116.45 129.55 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 111.098 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -86.35 164.82 16.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -78.59 149.78 32.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.75 103.62 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -101.83 135.01 44.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.9 m -90.64 109.13 20.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 45' ' ' SER . 14.5 m-85 -107.77 155.78 19.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.8 pt -142.69 165.32 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.9 mt -102.83 114.29 28.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -97.41 114.35 26.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 t -69.75 165.93 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -118.91 -52.72 2.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.97 -19.78 1.1 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.554 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 22.8 p -134.95 -26.43 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 75.04 42.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -111.97 142.26 44.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.8 p -102.09 136.83 41.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.4 t -133.03 126.12 31.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -66.87 90.13 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.453 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 6.3 t0 -175.46 135.99 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mmm -115.3 21.85 13.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -134.45 -35.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.453 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 70.0 mtt-85 -46.61 123.13 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.565 HG12 ' CE2' ' A' ' 32' ' ' PHE . 9.9 p -90.24 -17.92 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 31' ' ' VAL . 89.8 m-85 -117.09 157.66 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 14.4 t -95.7 159.2 15.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.417 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -93.29 -43.68 3.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.461 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.554 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 2.4 t60 -59.0 -61.96 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 25.3 p -107.52 -48.62 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 99.38 83.83 1.75 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -117.53 152.84 34.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.403 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 26.5 mtpt -89.99 12.81 16.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.526 ' O ' ' CG2' ' A' ' 40' ' ' THR . 3.0 t -138.87 115.95 10.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.192 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.4 mt -124.59 139.76 53.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.8 132.57 45.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -77.18 138.19 39.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.473 HG23 ' N ' ' A' ' 45' ' ' SER . 2.7 p -143.19 140.4 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.561 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 83.0 p -86.59 146.01 26.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.409 ' CG1' ' HG3' ' A' ' 56' ' ' MET . 20.5 m -142.93 134.85 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.1 m -90.6 151.37 21.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.8 mm -116.11 135.59 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -106.51 155.28 19.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.55 -50.5 4.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.47 -44.51 96.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.26 72.35 0.42 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.2 p -127.01 161.75 27.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 111.102 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.2 mt -114.1 139.92 48.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -129.72 106.12 8.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.409 ' HG3' ' CG1' ' A' ' 46' ' ' VAL . 0.6 OUTLIER -102.44 105.71 16.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -80.02 137.77 36.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -158.75 178.53 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.7 t -103.66 115.85 31.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -83.52 141.96 31.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -77.17 144.85 72.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.642 0.734 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -174.63 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.671 2.248 . . . . 0.0 112.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.48 81.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.2 m -51.12 167.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.6 tp -122.03 81.4 1.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -59.78 153.29 53.83 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 125.57 12.32 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.694 2.263 . . . . 0.0 112.359 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 -40.74 -52.02 3.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 139.94 -52.67 0.7 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.434 HD13 ' C ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -43.8 102.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -84.35 156.24 21.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -80.6 157.47 26.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.4 p -58.71 174.42 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.8 t -106.82 161.09 14.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -141.71 154.01 24.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -179.95 3.26 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.6 p -115.05 174.8 5.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.901 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.5 m -102.07 175.0 5.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 m -127.46 118.96 25.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.842 0.353 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 4' ' ' GLY . 2.9 m -170.84 149.9 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -36.44 142.41 0.17 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 m -117.15 44.71 2.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.857 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -78.53 96.68 5.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.26 46.85 28.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.9 m -93.99 137.69 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.55 124.02 30.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -82.72 138.1 34.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.7 126.13 30.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.2 mmt-85 -90.12 106.4 18.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.3 m -85.89 112.29 21.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.47 ' CZ ' ' OG ' ' A' ' 45' ' ' SER . 3.9 m-85 -109.48 156.54 19.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.454 ' N ' ' HE1' ' A' ' 28' ' ' MET . 2.6 pp -139.19 158.89 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -99.4 113.13 25.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 37.5 ttt180 -102.13 110.64 22.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.94 177.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 21' ' ' CYS . 65.3 t-80 -117.93 -70.79 0.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.91 -24.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.626 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 29.3 p -127.94 -4.95 5.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.586 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 48.3 p90 47.29 38.53 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 1.8 mmmp? -95.44 179.81 5.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.6 p -136.08 149.28 48.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.9 t -147.03 115.07 6.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.458 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 2.8 m -62.51 91.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.49 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.2 m-20 -176.05 110.1 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.454 ' HE1' ' N ' ' A' ' 15' ' ' ILE . 10.3 mmt -91.22 29.67 1.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -135.01 -37.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.49 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 39.9 mtt-85 -59.59 144.75 46.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 p -116.79 -15.93 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.611 ' CE1' ' HG3' ' A' ' 39' ' ' LYS . 24.1 m-85 -102.87 172.33 6.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.8 t -117.22 153.9 32.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.13 -45.34 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.626 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 31.3 t60 -48.66 -70.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 19.2 p -93.09 -47.3 7.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 116.07 25.83 3.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.542 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -64.05 156.07 29.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.611 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 5.0 ttpt -104.02 10.06 36.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.8 t -138.04 127.42 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.1 mt -119.82 146.43 45.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -105.45 117.64 34.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -70.07 137.2 51.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.459 HG21 ' N ' ' A' ' 45' ' ' SER . 3.3 p -142.2 152.44 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.47 ' OG ' ' CZ ' ' A' ' 14' ' ' TYR . 1.4 m -90.63 133.36 35.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.2 m -136.1 121.83 29.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.1 m -85.7 147.17 26.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.4 mm -108.12 109.16 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.074 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' ASP . 1.4 t30 -84.62 154.45 22.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' ASN . 10.1 m-20 -38.09 -60.0 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -48.07 -49.73 30.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.47 49.4 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.525 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.6 p -114.19 155.2 26.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 111.125 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 35.4 mt -102.03 144.7 30.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -125.54 104.09 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.7 mmt -89.01 144.1 26.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -71.07 123.5 22.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -56.29 131.64 48.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -126.39 111.26 14.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.6 mtt85 -62.69 83.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.4 ' C ' ' H ' ' A' ' 63' ' ' LYS . 6.2 t-20 -125.28 135.96 27.57 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.613 0.72 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 7.19 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -104.98 -52.12 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.9 m -56.73 152.34 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 pp -126.85 149.19 49.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -151.72 147.95 21.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.637 0.732 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 162.02 43.69 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HD2' ' N ' ' A' ' 69' ' ' GLY . 0.2 OUTLIER -68.7 -32.37 72.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.475 ' N ' ' HD2' ' A' ' 68' ' ' ARG . . . 156.07 146.2 4.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.503 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.5 tp -155.52 122.67 5.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -57.03 149.13 19.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -123.17 -48.96 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 t -44.83 101.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 m -160.41 148.75 16.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.13 77.85 1.05 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 158.33 57.3 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.392 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -77.04 -46.68 22.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.1 p -44.34 129.8 6.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p -51.03 -47.42 61.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.912 0.387 . . . . 0.0 110.859 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 t -71.76 119.63 16.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.23 125.47 0.76 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 m 54.39 42.25 31.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 110.899 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 t -98.2 105.92 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -36.86 -90.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 p -84.14 118.4 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 111.156 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -56.8 -57.82 10.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -95.42 106.32 18.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.21 140.7 34.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 mtm105 -98.73 154.64 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.3 p -120.91 109.67 15.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.851 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 45' ' ' SER . 6.6 m-85 -125.39 152.76 44.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.478 ' CD1' ' HG3' ' A' ' 17' ' ' ARG . 2.3 pp -138.08 160.4 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.0 mt -102.43 115.76 31.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.478 ' HG3' ' CD1' ' A' ' 15' ' ' ILE . 19.2 mtp180 -99.34 98.49 9.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.1 t -46.07 170.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.562 ' NE2' ' CG2' ' A' ' 40' ' ' THR . 31.7 p80 -118.93 -50.81 2.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.483 ' N ' ' CG ' ' A' ' 19' ' ' HIS . . . -53.94 -20.67 14.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.634 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 28.5 p -133.52 -17.82 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 65.26 36.2 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -100.6 167.87 10.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.467 HG21 ' CG ' ' A' ' 17' ' ' ARG . 17.0 p -119.09 142.01 48.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.2 t -137.04 122.97 20.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.4 p -64.29 89.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -175.03 154.35 1.8 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.7 mmt -131.01 8.74 4.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -132.66 32.56 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.7 mtt-85 -97.91 141.45 30.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.4 p -119.59 -5.65 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.584 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 3.7 m-85 -145.09 132.99 21.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 10.9 t -87.62 158.79 18.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.416 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.67 -43.95 1.74 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.634 ' CD2' ' CB ' ' A' ' 21' ' ' CYS . 6.8 t60 -43.42 -62.03 1.19 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.96 -48.52 3.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.39 68.57 0.61 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.413 ' OD1' ' CE1' ' A' ' 19' ' ' HIS . 1.8 m-80 -121.21 153.92 36.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.584 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 5.4 ttmt -99.73 9.92 42.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.562 ' CG2' ' NE2' ' A' ' 19' ' ' HIS . 6.0 t -125.24 113.27 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.45 ' C ' ' HD3' ' A' ' 42' ' ' LYS . 96.4 mt -110.95 149.04 31.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.45 ' HD3' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -112.65 114.05 26.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -73.93 136.4 43.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.437 ' CG1' HD11 ' A' ' 15' ' ' ILE . 3.9 p -142.31 150.37 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.126 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.56 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 85.7 p -92.11 153.78 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.3 m -137.94 128.78 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.476 HG21 ' N ' ' A' ' 48' ' ' ILE . 21.7 m -87.56 153.61 21.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.476 ' N ' HG21 ' A' ' 47' ' ' THR . 5.3 mp -91.18 128.94 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.459 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 28.6 t-20 -105.53 155.47 19.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 49' ' ' ASN . 76.5 m-20 -34.07 -63.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -64.68 -40.35 95.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.79 28.5 3.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.45 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -79.46 164.59 23.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 111.156 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.6 mt -76.46 125.07 28.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.459 ' CD2' ' HB2' ' A' ' 49' ' ' ASN . 80.2 m-70 -133.83 113.72 12.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.7 mpt? -102.72 117.55 34.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -80.29 112.55 17.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -140.17 138.21 34.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.1 m -72.01 150.48 43.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -138.52 165.5 26.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -77.99 153.65 80.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 4.63 2.08 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.617 2.211 . . . . 0.0 112.349 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -84.24 76.68 10.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.3 m -102.93 150.04 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tp -130.59 144.3 51.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.423 ' CG ' ' HD2' ' A' ' 67' ' ' PRO . 7.6 t30 -148.19 141.42 15.46 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.77 167.47 24.36 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.313 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -111.0 155.17 23.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 144.33 102.83 0.4 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.464 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.9 mt -145.8 166.22 26.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 72' ' ' TYR . 10.7 ttm180 -168.1 171.02 9.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.509 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 37.8 m-85 -166.34 171.65 11.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 t -173.79 176.25 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.6 p -166.34 174.83 8.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -172.61 130.05 1.83 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 118.68 5.82 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.246 . . . . 0.0 112.358 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.2 p -59.06 -62.58 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t 69.58 42.98 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.498 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -133.23 167.65 19.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 110.876 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -123.24 111.09 16.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.73 131.0 9.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -128.74 93.94 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.8 p -94.39 94.28 8.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.97 46.05 14.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.2 t -70.78 145.75 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -55.86 146.57 21.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 3.3 tm-20 -89.12 104.98 17.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.29 143.26 30.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.3 mtm-85 -121.56 178.72 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.5 m -134.66 111.92 10.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.422 ' C ' HG21 ' A' ' 15' ' ' ILE . 3.5 m-85 -115.01 156.43 25.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.433 ' CD1' ' CG1' ' A' ' 44' ' ' VAL . 2.5 pp -140.28 164.78 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.3 mt -100.49 113.94 27.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -101.25 94.94 6.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 t -49.05 168.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -116.3 -53.41 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.34 -19.93 2.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.52 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.575 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 28.2 p -131.86 -16.96 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 63.94 31.57 13.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -101.01 167.81 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.7 p -122.71 144.87 48.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.1 t -138.82 120.98 15.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.5 p -65.34 88.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -176.9 112.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 74.4 mmm -94.52 26.46 3.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -133.03 -35.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -54.5 123.39 12.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.1 p -97.01 -12.73 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.634 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 20.5 m-85 -117.9 157.41 26.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.0 t -114.2 153.82 28.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.38 -38.52 2.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 3.2 t-160 -46.48 -54.6 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 110.829 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.7 p -116.16 -48.08 2.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.34 72.22 0.72 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -124.63 155.44 39.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.634 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 1.4 ttpt -99.33 5.28 46.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.502 ' O ' ' CG2' ' A' ' 40' ' ' THR . 5.1 t -123.19 116.62 23.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.2 mt -117.6 138.24 52.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -98.71 122.84 42.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -74.87 136.43 41.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 45' ' ' SER . 3.6 p -142.29 148.61 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 44' ' ' VAL . 2.9 m -82.61 161.62 22.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.6 m -154.73 118.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.418 HG21 ' N ' ' A' ' 48' ' ' ILE . 20.2 m -107.5 143.06 36.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.418 ' N ' HG21 ' A' ' 47' ' ' THR . 4.5 mp -94.74 111.38 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -77.21 152.41 34.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -43.79 -49.32 8.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.83 -43.62 98.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.43 68.16 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.7 p -138.83 162.61 34.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.847 0.356 . . . . 0.0 111.137 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.2 mp -98.23 159.39 14.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -135.56 115.87 13.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 41.5 mtt -130.93 113.23 13.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -61.56 121.06 11.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -66.72 155.24 38.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.9 p -120.19 170.16 9.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -72.91 97.96 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.35 142.74 25.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.654 0.74 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 119.88 6.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.67 2.246 . . . . 0.0 112.355 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -122.99 88.54 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.3 m -123.14 166.49 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.171 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.3 mt -122.74 139.81 53.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -83.49 157.13 65.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.546 0.688 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 150.85 68.72 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 -113.53 167.38 10.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -170.25 154.19 22.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.545 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -95.74 156.88 16.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.813 0.339 . . . . 0.0 110.939 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.476 ' N ' HD21 ' A' ' 70' ' ' LEU . 13.9 ptt180 -126.44 178.0 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 56.23 40.59 29.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.9 p -54.58 146.93 15.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.0 t -40.06 140.69 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.49 166.63 30.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -178.29 2.28 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.701 2.267 . . . . 0.0 112.326 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.0 m -100.91 167.5 10.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.5 t -69.65 -48.67 59.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.822 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -134.21 104.68 6.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.864 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.7 p -127.38 127.08 43.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.59 129.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 m -117.52 94.99 4.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.848 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -45.87 154.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.23 102.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.2 p -124.8 129.45 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 111.158 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -38.62 150.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -73.14 155.24 39.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.39 96.1 7.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.4 mtm-85 -95.19 118.98 32.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.2 m -95.22 111.47 23.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 5.2 m-85 -119.68 153.26 35.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.472 HD11 ' CG1' ' A' ' 44' ' ' VAL . 2.4 pp -140.11 162.86 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.4 mt -99.18 112.13 24.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -96.71 116.78 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.5 t -69.67 163.53 25.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -115.85 -51.64 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.806 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -43.66 -26.53 0.73 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.467 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 30.2 p -129.43 -16.47 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.912 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.409 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 7.5 m-85 65.72 54.84 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -124.78 179.55 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.4 p -129.71 147.84 51.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.175 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.2 t -142.82 136.33 28.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 37.3 p -78.04 89.17 4.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 26' ' ' SER . 3.7 m-20 -175.78 120.84 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 14' ' ' TYR . 74.3 mmm -101.39 23.19 11.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -134.93 -35.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.0 mtt-85 -44.34 139.55 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.3 p -112.05 -15.18 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.674 ' CE1' ' HG2' ' A' ' 39' ' ' LYS . 5.7 m-85 -123.81 127.06 47.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.2 t -62.25 155.35 24.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.74 -42.1 3.95 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.467 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 51.6 t60 -58.4 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 27.3 p -104.65 -48.84 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.412 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 106.54 90.96 2.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -125.97 149.16 48.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.876 0.369 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.674 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 27.1 mtpt -91.35 6.61 44.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.521 ' O ' ' CG2' ' A' ' 40' ' ' THR . 5.0 t -135.17 113.95 11.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -119.46 135.4 54.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.85 123.07 36.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -73.43 136.42 44.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG1' HD11 ' A' ' 15' ' ' ILE . 3.8 p -143.1 146.08 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 96.4 p -83.18 154.04 24.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.4 m -152.97 133.21 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.3 m -88.88 142.39 27.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.4 mm -105.82 100.26 10.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -68.17 151.86 46.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -40.75 -46.78 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -63.88 -45.25 90.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.61 57.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.7 p -125.48 163.22 23.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mp -109.57 156.21 20.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -144.92 106.31 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.1 mtt -103.19 131.85 49.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -102.03 96.06 6.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -103.14 132.74 49.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.3 t -49.95 105.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -82.33 107.01 14.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -78.92 153.98 77.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.657 0.741 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 105.58 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.691 2.26 . . . . 0.0 112.367 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -133.93 108.15 8.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.1 p -168.68 127.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.1 tp -92.01 107.21 19.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.23 147.89 85.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 157.21 61.15 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -96.01 41.97 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -91.77 66.03 2.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.7 tp -81.77 103.81 11.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.0 ttm-85 -149.32 127.83 12.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -165.37 173.57 10.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 m -163.3 153.78 16.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.4 m -140.86 173.93 11.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.34 83.64 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -175.12 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.4 t -130.66 174.68 9.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -89.5 -57.51 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.505 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.6 t -133.4 139.44 46.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 p -142.95 153.42 43.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.42 74.56 1.27 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 m -129.54 129.22 44.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -72.74 108.58 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.27 129.87 1.09 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.42 ' C ' ' HD3' ' A' ' 9' ' ' ARG . 16.6 m -98.9 109.41 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 111.137 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.481 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -128.42 89.04 2.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -72.41 141.56 48.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.87 123.35 38.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -82.0 89.34 6.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.482 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 14.5 m -74.94 110.84 9.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.577 ' CZ ' ' CB ' ' A' ' 45' ' ' SER . 4.7 m-85 -108.63 164.56 12.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.421 HG22 ' C ' ' A' ' 14' ' ' TYR . 4.9 pt -140.64 169.87 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.9 mt -108.56 115.52 30.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.455 ' CG ' HG22 ' A' ' 24' ' ' THR . 11.7 mtp-105 -97.79 106.43 18.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 t -61.74 165.67 4.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.5 ' CD2' ' HZ3' ' A' ' 42' ' ' LYS . 9.2 t-80 -116.16 -53.51 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.87 -18.33 1.06 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.434 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.511 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 32.1 p -133.53 -20.73 2.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 49.6 m-85 68.84 32.78 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -99.43 166.25 11.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.455 HG22 ' CG ' ' A' ' 17' ' ' ARG . 70.3 p -121.97 136.18 54.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.171 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -130.7 125.45 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.181 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.4 t -68.23 89.12 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.2 t0 -176.27 129.46 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.416 ' HE2' ' CA ' ' A' ' 15' ' ' ILE . 8.8 mmt -108.48 22.43 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -132.74 -37.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.441 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 15.8 mtt-85 -46.49 125.79 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 32' ' ' PHE . 10.5 p -94.01 -16.36 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.582 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 33.6 m-85 -114.16 177.82 4.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.1 t -123.14 158.12 31.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.822 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -102.16 -42.81 2.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.511 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 2.8 t-160 -48.44 -61.83 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.403 ' SG ' ' OD1' ' A' ' 38' ' ' ASN . 29.4 p -107.11 -48.35 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.14 31.67 1.83 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.528 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.403 ' OD1' ' SG ' ' A' ' 36' ' ' CYS . 6.4 m120 -70.72 155.16 41.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.582 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 4.7 ttpt -100.38 -0.91 37.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.427 ' O ' ' CG2' ' A' ' 40' ' ' THR . 6.5 t -123.77 120.17 31.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.5 mt -116.21 141.77 47.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.5 ' HZ3' ' CD2' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -101.74 128.88 47.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.852 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.505 ' HE2' ' CD2' ' A' ' 14' ' ' TYR . 21.6 tttm -76.98 138.07 39.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.455 ' CG1' ' HD3' ' A' ' 17' ' ' ARG . 2.2 p -138.79 146.53 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.577 ' CB ' ' CZ ' ' A' ' 14' ' ' TYR . 74.8 p -93.91 140.83 29.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 13' ' ' SER . 6.9 m -135.92 150.95 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.0 m -107.8 149.38 28.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.6 mm -108.6 105.11 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.171 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -75.7 155.36 35.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.97 -35.85 5.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 27.7 t70 -84.81 33.76 0.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 39.58 77.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.1 p -138.33 160.83 38.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 111.14 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.5 mp -111.39 135.42 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -128.54 108.41 10.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -87.2 128.33 35.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -74.41 105.92 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -42.46 -58.36 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 48.93 33.43 4.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -147.39 117.18 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -93.07 135.42 25.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.618 0.723 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.54 18.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.738 2.292 . . . . 0.0 112.327 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -80.05 -48.64 12.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.0 m -92.7 161.34 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 tt -121.08 93.96 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -124.3 154.62 68.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 174.81 9.0 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 68' ' ' ARG . 8.0 mpt_? -114.33 108.5 17.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 46.83 -146.65 3.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.4 mt -147.57 165.5 30.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.335 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.435 ' HD3' ' N ' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -91.66 124.5 35.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.435 ' N ' ' HD3' ' A' ' 71' ' ' ARG . 9.9 p90 -114.05 128.01 56.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.6 t -138.65 163.84 31.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -167.95 135.12 2.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.34 128.62 1.34 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 158.31 57.36 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.5 m -97.32 153.17 18.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.4 p -169.59 173.1 6.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -77.12 -59.73 2.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 0.0 110.808 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 m -118.7 -55.41 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.35 43.07 0.79 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 t -112.2 41.89 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 0.0 110.872 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -90.94 133.63 35.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.14 61.1 1.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.6 p -120.11 137.59 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.343 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -90.0 166.99 13.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -88.37 122.94 32.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.64 144.6 25.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.481 ' HB3' ' CE1' ' A' ' 14' ' ' TYR . 1.8 mmp_? -77.04 89.55 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.815 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -66.62 105.78 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 5.4 m-85 -122.08 152.87 39.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.471 ' CA ' ' HE2' ' A' ' 28' ' ' MET . 2.5 pp -132.63 170.73 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.426 ' CD1' ' O ' ' A' ' 30' ' ' ARG . 85.4 mt -106.41 113.97 27.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -101.22 124.45 46.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.7 t -77.63 174.63 10.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -118.72 -68.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.44 -34.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.606 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 30.6 p -115.01 -31.7 5.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.896 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 t80 74.96 43.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' HG2' ' ND1' ' A' ' 35' ' ' HIS . 1.8 mptp? -114.37 153.25 30.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.1 p -109.55 141.61 41.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.2 t -133.71 125.96 29.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.457 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 79.7 p -61.52 90.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.457 ' CG ' ' O ' ' A' ' 26' ' ' SER . 5.2 m-20 -175.05 109.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.471 ' HE2' ' CA ' ' A' ' 15' ' ' ILE . 4.8 mmt -93.25 21.59 5.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -135.03 -35.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.426 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 56.6 mtt180 -55.67 139.06 46.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -107.27 -16.87 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.589 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 38.6 m-85 -102.23 169.17 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 11.7 t -112.8 160.18 18.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -102.88 -47.5 1.35 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.606 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 15.9 t60 -47.69 -68.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.828 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 23.0 p -96.63 -47.42 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 115.26 26.67 3.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -61.88 155.58 23.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.404 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.589 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -102.35 13.97 33.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.2 t -141.15 129.13 21.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.215 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.414 ' C ' ' HE2' ' A' ' 42' ' ' LYS . 89.8 mt -126.0 135.86 52.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HE2' ' C ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -93.81 121.91 35.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.419 ' HE3' ' CD2' ' A' ' 14' ' ' TYR . 15.8 ttpt -69.47 131.97 45.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.464 ' CG1' HD13 ' A' ' 15' ' ' ILE . 7.5 p -141.45 147.29 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 87.4 p -86.19 160.62 19.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 45' ' ' SER . 35.6 m -158.06 129.14 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -98.81 157.16 16.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.3 mp -106.44 94.1 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' ASP . 5.6 t-20 -78.93 153.71 30.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 50' ' ' ASP . 20.8 t0 -37.44 -59.27 0.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.85 -44.05 97.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.92 65.46 0.38 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.453 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.1 p -116.21 157.3 25.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 111.168 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.0 mt -109.42 95.68 5.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -76.53 111.08 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 48.3 mtt -116.87 152.09 35.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -104.23 135.49 45.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -125.16 37.72 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 p -93.88 -33.34 13.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.825 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -54.98 -53.86 50.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.811 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -91.74 145.39 31.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.616 0.722 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 176.06 7.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.359 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -112.32 -51.37 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.8 m -103.04 165.59 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.4 tp -118.55 -58.98 1.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -141.22 161.62 52.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 154.26 67.72 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 69.7 mmt-85 -99.75 149.89 22.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 153.76 116.62 0.62 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 tp -163.84 162.11 23.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -134.2 168.06 19.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -107.74 155.49 20.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.0 m -171.69 148.74 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 t -165.8 153.9 10.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 152.98 73.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -175.38 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.375 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -174.69 176.54 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.5 p -71.79 -57.79 4.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 m -126.65 87.2 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 0.0 110.853 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 p -164.96 143.29 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.76 -124.0 3.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.447 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 m -99.06 87.38 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.3 p -129.94 -44.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.79 49.2 0.45 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.4 m -108.4 132.43 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -110.92 162.11 15.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -77.33 157.81 30.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -116.06 129.84 56.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.8 mtt85 -102.05 171.53 7.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 p -137.68 117.15 12.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 8.3 m-85 -127.79 151.82 48.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.457 HD13 ' CG1' ' A' ' 44' ' ' VAL . 2.7 pp -140.51 166.77 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 41' ' ' LEU . 74.1 mt -101.77 112.47 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.486 ' HG3' ' CG2' ' A' ' 24' ' ' THR . 15.2 ttm180 -101.14 100.21 10.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -58.04 168.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -115.52 -53.09 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.11 -17.36 0.95 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.578 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 28.0 p -134.67 -27.15 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 t80 75.0 33.22 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -102.68 157.68 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.486 ' CG2' ' HG3' ' A' ' 17' ' ' ARG . 72.5 p -118.58 139.62 51.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 25' ' ' THR . 5.3 t -132.34 126.21 32.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 3.1 m -70.43 88.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 26' ' ' SER . 11.1 m-20 -175.06 133.76 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.423 ' HE1' ' C ' ' A' ' 14' ' ' TYR . 17.4 mmt -112.14 30.11 7.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -135.0 -38.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.6 mtt-85 -47.67 123.82 6.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.82 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.1 p -97.36 -14.16 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.606 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 13.3 m-85 -122.48 151.82 40.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.41 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 8.5 t -97.55 154.58 17.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.76 -43.09 2.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 3.1 t-160 -45.75 -62.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.9 p -106.78 -48.26 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 33' ' ' CYS . . . 115.75 35.69 1.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -79.56 156.68 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.606 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 2.1 tttt -103.78 1.73 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.413 ' O ' ' CG2' ' A' ' 40' ' ' THR . 10.4 t -123.24 120.25 32.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 16' ' ' LEU . 71.4 mt -120.58 141.3 50.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.0 117.77 34.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HD3' ' CD2' ' A' ' 14' ' ' TYR . 7.9 ttmt -72.01 134.06 45.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.457 ' CG1' HD13 ' A' ' 15' ' ' ILE . 6.8 p -141.27 147.34 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 52.3 p -86.66 151.7 23.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 m -140.59 123.85 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.43 HG21 ' N ' ' A' ' 48' ' ' ILE . 33.5 m -97.13 150.9 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.45 HD13 ' N ' ' A' ' 48' ' ' ILE . 4.5 mp -109.67 107.72 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -74.05 154.19 39.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.89 -57.98 2.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -52.38 -49.14 65.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.51 68.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.4 p -136.58 147.76 47.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.148 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.2 mt -99.16 99.13 10.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -84.58 133.73 34.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.417 ' HB3' ' NH2' ' A' ' 17' ' ' ARG . 65.8 mtt -120.36 136.65 54.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -94.2 146.87 23.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.896 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -104.02 157.26 17.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -98.39 -57.31 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -84.6 174.97 9.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -74.67 151.62 87.03 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.702 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 166.59 27.06 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -132.95 84.01 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.4 m -116.46 36.94 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.0 mt -109.75 87.42 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.419 ' CG ' ' HD2' ' A' ' 67' ' ' PRO . 10.3 t30 -137.77 140.06 28.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.77 161.42 45.98 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.459 ' O ' ' C ' ' A' ' 69' ' ' GLY . 27.5 ptt180 -82.97 88.13 6.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 68' ' ' ARG . . . 33.82 -137.23 0.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' A' ' 71' ' ' ARG . 40.6 tp -146.74 157.94 43.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.943 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.434 ' N ' ' HG ' ' A' ' 70' ' ' LEU . 12.3 tpt180 -85.56 152.71 22.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.809 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.422 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 8.8 p90 -75.94 171.1 14.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.0 p -104.07 139.24 39.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.4 m -57.84 139.21 54.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.11 142.26 19.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 145.25 56.37 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.329 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.4 p -83.44 123.33 29.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 92.0 p -68.71 115.53 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.462 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -126.61 116.13 20.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.351 . . . . 0.0 110.859 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -93.83 146.55 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -152.06 81.5 0.18 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' GLY . 66.2 p 37.23 42.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -141.95 119.51 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.88 -45.74 1.79 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.6 t -74.86 121.75 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.339 . . . . 0.0 111.125 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.7 mmm-85 -43.07 162.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -85.6 109.57 18.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.23 146.22 24.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.5 mtm-85 -109.77 163.56 13.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -126.3 113.14 16.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.521 ' CD2' ' HE3' ' A' ' 43' ' ' LYS . 4.8 m-85 -117.8 155.39 30.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 pt -133.61 165.09 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.7 mt -99.41 112.85 24.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -103.82 103.36 13.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 t -44.03 167.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.451 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 9.1 p-80 -120.22 -41.66 2.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.4 ' N ' ' CG ' ' A' ' 19' ' ' HIS . . . -61.08 -23.6 61.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.511 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -130.51 -11.21 4.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 63.97 36.5 10.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 24' ' ' THR . 3.8 tppp? -102.06 147.79 26.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.454 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 20.9 p -106.34 143.33 34.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 t -142.82 134.36 26.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -70.83 89.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.449 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.3 t0 -175.44 133.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.5 mmt -114.09 20.58 15.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -134.35 -37.17 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.449 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 64.7 mtt-85 -45.68 130.42 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.578 HG12 ' CD2' ' A' ' 32' ' ' PHE . 15.0 p -104.69 -13.17 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.578 ' CD2' HG12 ' A' ' 31' ' ' VAL . 80.8 m-85 -117.26 143.73 45.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.2 t -91.87 161.32 14.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.81 -50.41 1.65 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -52.05 -59.16 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 20.7 p -109.47 -47.95 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 98.45 89.38 1.94 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -126.26 151.95 46.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -90.14 5.48 46.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.549 ' O ' ' CG2' ' A' ' 40' ' ' THR . 3.7 t -132.72 113.44 12.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -109.67 140.32 43.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -95.61 121.47 37.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.521 ' HE3' ' CD2' ' A' ' 14' ' ' TYR . 10.5 ttpt -71.21 137.43 48.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 45' ' ' SER . 2.1 p -141.95 144.97 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 98.1 p -83.95 161.5 20.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.422 HG13 ' CG ' ' A' ' 56' ' ' MET . 20.0 m -154.54 135.79 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.4 m -99.1 146.63 25.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.4 mm -109.99 143.96 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' ASP . 3.1 t30 -125.13 152.39 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' ASN . 6.5 t70 -37.25 -50.41 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.806 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.29 -42.51 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.812 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.81 81.23 1.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.8 p -128.34 156.16 43.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.834 0.35 . . . . 0.0 111.089 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.7 mt -105.68 110.08 22.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -111.68 103.53 11.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.422 ' CG ' HG13 ' A' ' 46' ' ' VAL . 9.4 mtt -104.64 117.2 33.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.414 ' CD2' ' C ' ' A' ' 57' ' ' HIS . 4.2 t60 -100.26 116.36 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -103.02 176.73 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 55.2 p -115.23 168.0 10.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 62.0 47.71 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.6 p-10 -85.09 118.82 71.67 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 177.4 5.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.358 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 64' ' ' VAL . 6.7 pttp -111.81 77.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 63' ' ' LYS . 27.7 m -36.46 118.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.443 ' HG ' ' N ' ' A' ' 66' ' ' ASN . 8.4 tp -130.66 150.32 51.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.443 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 12.5 p30 -105.54 149.3 37.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.637 0.732 . . . . 0.0 110.854 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -168.84 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.226 . . . . 0.0 112.342 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.09 133.29 39.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.76 168.68 2.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.6 tp -153.45 158.58 41.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' A' ' 72' ' ' TYR . 0.7 OUTLIER -97.03 175.39 6.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.429 ' N ' ' HD3' ' A' ' 71' ' ' ARG . 51.0 t80 -114.08 155.67 25.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.3 t -157.65 163.8 37.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.6 p -139.85 174.49 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.87 142.28 5.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -175.25 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.342 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -157.9 175.84 13.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.5 t -167.6 175.68 6.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 t -107.25 140.64 39.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 t -85.36 151.53 23.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.67 168.46 17.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.503 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -164.46 140.58 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.826 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -148.53 160.3 43.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.67 -99.83 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.2 t -122.05 117.58 52.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -169.97 135.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -86.29 127.23 34.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -106.41 111.76 24.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -123.19 151.74 41.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -159.72 109.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 5.4 m-85 -100.14 164.0 12.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.47 HD11 ' CG1' ' A' ' 44' ' ' VAL . 2.2 pp -152.64 161.11 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.5 mt -100.34 114.01 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.442 ' HD2' ' CE ' ' A' ' 56' ' ' MET . 51.8 ttt-85 -98.95 99.55 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 22' ' ' PHE . 51.6 t -57.23 164.8 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -116.43 -50.59 2.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.68 -32.87 1.42 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.463 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 29.4 p -126.43 -20.13 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.872 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 47.4 m-85 72.81 49.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.557 ' HE3' ' CE1' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -118.61 157.31 27.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.408 ' CG2' ' HG3' ' A' ' 17' ' ' ARG . 33.2 p -116.18 145.65 42.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.4 t -142.82 128.65 19.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 49.7 p -66.32 89.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.467 ' CG ' ' O ' ' A' ' 26' ' ' SER . 8.9 m-20 -175.96 158.56 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.464 ' HE2' ' N ' ' A' ' 15' ' ' ILE . 8.4 mmt -134.78 27.04 3.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 30' ' ' ARG . 9.0 m-20 -134.63 -40.15 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.473 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -32.64 114.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.588 HG11 ' CD2' ' A' ' 32' ' ' PHE . 7.7 p -91.93 -9.2 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.588 ' CD2' HG11 ' A' ' 31' ' ' VAL . 59.9 m-85 -139.26 104.98 5.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 32' ' ' PHE . 41.2 t -35.77 153.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -91.61 -43.64 4.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.557 ' CE1' ' HE3' ' A' ' 23' ' ' LYS . 18.7 t60 -58.68 -66.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 23.7 p -104.23 -48.73 3.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 108.82 96.13 2.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -126.11 150.89 47.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 110.916 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.451 ' CG ' ' CE1' ' A' ' 32' ' ' PHE . 32.3 mtpt -92.91 6.35 48.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.513 ' O ' ' CG2' ' A' ' 40' ' ' THR . 5.2 t -137.31 115.13 11.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 30' ' ' ARG . 50.4 mt -116.32 134.68 54.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -98.31 116.46 30.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -70.83 134.76 47.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG1' HD11 ' A' ' 15' ' ' ILE . 4.9 p -142.84 141.78 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.151 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 90.2 p -84.97 146.94 26.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.0 m -137.99 116.23 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 48' ' ' ILE . 22.3 m -88.36 143.79 26.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.427 ' N ' HG23 ' A' ' 47' ' ' THR . 4.8 mp -97.84 150.92 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' ASP . 24.1 t-20 -125.92 153.59 44.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' ASN . 1.2 m-20 -37.66 -60.76 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.53 -44.06 93.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.93 71.6 0.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.5 p -129.98 145.17 51.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.809 0.338 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.2 mt -82.35 152.34 26.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -127.53 82.29 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.442 ' CE ' ' HD2' ' A' ' 17' ' ' ARG . 25.1 mtp -109.63 112.83 25.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -102.65 136.93 41.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -88.44 163.12 16.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.0 t -59.21 132.62 54.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.805 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.8 mtp85 -50.78 122.93 8.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.0 151.95 64.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.629 0.728 . . . . 0.0 110.827 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 95.1 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -85.36 80.93 8.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.7 m -112.37 -29.22 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 tt -66.86 120.15 13.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.409 ' CG ' ' HD2' ' A' ' 67' ' ' PRO . 25.8 t-20 -88.31 140.55 30.4 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.653 0.74 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.409 ' HD2' ' CG ' ' A' ' 66' ' ' ASN . 54.4 Cg_endo -69.76 147.6 63.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.0 mtm105 -85.44 120.62 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.56 161.34 23.93 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.6 tp -63.85 155.33 30.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -43.68 119.77 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -61.32 173.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -132.39 157.92 43.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 t -156.47 155.27 31.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.75 152.65 20.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 126.73 13.66 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.664 2.243 . . . . 0.0 112.377 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.9 m -58.75 -57.21 14.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.4 m -153.92 163.65 39.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -114.51 142.83 45.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.381 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -98.52 117.61 33.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.86 71.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 t -167.42 132.6 1.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 t -77.56 155.23 31.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.7 -144.51 15.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.535 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.2 t -125.08 131.86 71.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.795 0.331 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -91.05 144.29 25.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -81.74 121.14 26.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -113.89 99.7 7.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -141.47 140.32 33.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.2 m -104.0 112.69 25.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 9.7 m-85 -106.44 160.2 15.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 pt -143.08 162.79 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.424 ' CD1' HD11 ' A' ' 41' ' ' LEU . 93.0 mt -99.82 115.28 29.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -97.5 123.21 41.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.6 t -77.55 168.78 19.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.553 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 56.0 t-80 -106.29 -73.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.59 -68.18 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 17.7 p -76.23 -29.15 57.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 19' ' ' HIS . 61.4 m-85 66.2 43.49 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 43.1 mmtt -108.85 150.81 27.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.7 p -108.13 137.33 46.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.155 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.9 t -133.37 131.93 40.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 28.6 t -73.48 90.02 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.46 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.3 m-20 -175.49 109.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 81.3 mmm -93.34 27.22 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -134.98 -34.08 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.46 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 44.1 mtt180 -51.84 141.37 17.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.586 HG11 ' CE2' ' A' ' 32' ' ' PHE . 14.7 p -109.76 -15.81 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.586 ' CE2' HG11 ' A' ' 31' ' ' VAL . 57.4 m-85 -120.54 110.36 16.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 32' ' ' PHE . 14.7 t -37.96 157.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -86.46 -45.61 5.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 44.3 t60 -61.64 -74.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 24.4 p -90.62 -48.7 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 97.3 84.57 1.75 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -114.3 155.21 26.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.904 0.383 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -86.27 7.76 24.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.522 ' O ' ' CG2' ' A' ' 40' ' ' THR . 4.8 t -134.16 114.15 12.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.424 HD11 ' CD1' ' A' ' 16' ' ' LEU . 83.8 mt -123.22 134.01 54.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -95.18 123.92 38.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -72.41 135.92 45.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 p -142.23 143.1 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 68.0 p -85.26 148.88 25.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.1 m -146.37 147.96 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -109.9 154.4 23.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.4 mm -105.76 96.73 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -82.13 155.37 25.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.18 -36.03 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 52' ' ' GLY . 23.3 t0 -83.64 35.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 51' ' ' ASP . . . 32.73 60.73 0.39 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.498 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.7 p -126.91 157.45 39.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.3 mt -110.03 147.27 33.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -113.1 132.87 55.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -132.4 98.91 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -63.44 122.11 15.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -143.12 138.67 30.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.2 t -44.45 99.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.56 34.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -124.87 122.68 25.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.66 0.743 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 87.21 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -53.03 -58.39 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.4 m -113.35 131.77 64.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.414 ' C ' HD11 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -168.28 107.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.79 120.85 48.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.854 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 116.21 4.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.331 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -147.68 179.1 7.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -162.47 157.9 29.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.529 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.4 tp -58.69 134.62 56.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.29 172.94 8.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -101.06 166.43 10.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 m -161.37 138.06 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.3 p -67.73 -43.8 79.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.84 129.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -176.5 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.7 m -104.7 177.52 4.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.0 p -124.92 -61.53 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -62.13 149.34 41.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 110.825 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -109.65 115.53 30.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.15 61.4 3.05 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -64.36 124.07 20.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.0 p -87.71 151.07 23.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.23 151.0 5.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.4 p -105.62 143.75 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 111.176 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 9' ' ' ARG . 15.5 mtp-105 -122.84 171.67 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -107.6 146.2 32.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -108.22 125.71 51.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.558 ' HD2' ' CD1' ' A' ' 14' ' ' TYR . 14.5 tpp85 -126.05 137.62 53.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.9 m -127.58 82.89 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.558 ' CD1' ' HD2' ' A' ' 12' ' ' ARG . 6.4 m-85 -134.9 149.84 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.424 HD13 ' CG1' ' A' ' 44' ' ' VAL . 2.1 pp -137.73 163.75 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.152 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.2 mt -99.87 114.23 27.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -104.68 115.35 30.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.8 t -59.48 -179.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -116.39 -70.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.89 -26.4 1.17 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.52 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 23' ' ' LYS . 26.6 p -125.2 3.36 7.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' CYS . 20.7 p90 36.39 32.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 21' ' ' CYS . 6.3 tptm -87.5 165.67 15.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.7 p -123.54 146.64 47.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.4 t -141.07 130.5 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.459 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 64.3 p -68.15 88.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.459 ' CG ' ' O ' ' A' ' 26' ' ' SER . 4.6 m-20 -177.22 141.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 14' ' ' TYR . 64.0 mmm -121.87 21.72 10.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -131.98 -34.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.458 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 49.5 mtt-85 -50.67 147.93 4.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.7 p -118.17 -17.69 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.625 ' CE1' ' HG2' ' A' ' 39' ' ' LYS . 2.9 m-85 -109.74 154.38 23.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.449 ' HB3' ' CA ' ' A' ' 37' ' ' GLY . 17.3 t -98.17 149.19 22.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.01 -44.29 7.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -60.4 -74.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 19.9 p -95.73 -47.63 6.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.449 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . . . 102.08 95.45 2.27 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -127.08 139.33 53.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.917 0.389 . . . . 0.0 110.83 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.625 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 37.2 mttt -80.29 -0.47 36.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.512 ' O ' ' CG2' ' A' ' 40' ' ' THR . 6.5 t -127.66 112.36 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.5 mt -114.07 135.87 53.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -96.97 120.21 36.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.408 ' HG3' ' CE ' ' A' ' 28' ' ' MET . 18.6 ttmt -73.59 137.58 44.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.442 HG21 ' N ' ' A' ' 45' ' ' SER . 2.6 p -142.13 150.19 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 24.4 p -84.48 161.32 20.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.4 m -150.06 130.38 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.3 m -85.5 152.47 23.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.455 HD13 ' N ' ' A' ' 48' ' ' ILE . 4.6 mp -106.21 139.16 28.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.436 ' N ' HG23 ' A' ' 48' ' ' ILE . 2.4 t30 -116.16 153.7 31.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -38.58 -52.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.35 -42.72 87.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.19 47.78 0.8 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.6 p -108.1 137.76 45.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 111.113 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.547 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 7.4 mt -70.95 162.26 29.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 54' ' ' LEU . 91.9 m-70 -164.49 120.76 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -122.81 149.24 44.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -69.05 132.35 46.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -87.32 128.96 35.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 94.7 p -120.23 -43.25 2.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 61' ' ' ASN . 15.8 ptm180 -37.35 -46.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.454 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 15.8 p30 -99.99 130.32 26.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.658 0.742 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.91 4.07 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.266 . . . . 0.0 112.353 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -82.94 88.88 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.3 m -93.57 158.32 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 tp -134.03 -43.38 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -144.12 148.34 41.18 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.707 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 121.0 7.69 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 0.0 112.307 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.4 ptt85 -83.25 157.25 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 151.21 141.46 3.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.9 mt -153.71 164.53 38.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 72' ' ' TYR . 42.8 ttt85 -154.04 151.22 29.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.422 ' N ' ' HG2' ' A' ' 71' ' ' ARG . 7.0 t80 -135.43 154.09 51.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.8 t -171.17 126.89 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.828 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.2 p -160.39 171.74 18.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.31 71.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.531 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -174.72 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 84.4 p -173.83 154.35 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.6 m -160.3 175.43 12.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -142.76 148.89 37.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -152.37 133.63 14.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.73 -138.31 3.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -95.99 81.37 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.854 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -87.92 -48.1 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.99 67.9 1.31 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.442 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.2 t -119.42 118.95 59.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.3 ptt-85 -76.23 179.89 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -98.84 146.07 26.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -107.55 153.07 23.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.586 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 6.3 ptp180 -86.81 25.77 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m 64.19 25.24 13.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.586 ' CD2' ' HD2' ' A' ' 12' ' ' ARG . 3.5 m-30 -101.67 155.56 18.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.465 ' CA ' ' HE2' ' A' ' 28' ' ' MET . 2.2 pt -139.42 179.29 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.111 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.5 mt -116.59 112.9 21.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -100.34 89.74 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.1 t -49.17 166.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -113.69 -51.8 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.09 -17.79 0.68 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.595 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 24.8 p -133.97 -27.49 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.5 t80 74.81 30.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -109.74 153.83 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.7 p -100.7 147.63 25.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.439 ' O ' ' CG2' ' A' ' 25' ' ' THR . 5.5 t -135.76 121.62 19.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.432 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 47.5 p -61.48 89.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 26' ' ' SER . 13.2 m-20 -175.09 153.78 1.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.847 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.465 ' HE2' ' CA ' ' A' ' 15' ' ' ILE . 11.9 mmt -130.99 6.3 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -134.95 32.2 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.483 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 30.9 mtt-85 -109.63 111.31 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.414 HG13 ' CD2' ' A' ' 32' ' ' PHE . 9.0 p -82.8 -11.49 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 39' ' ' LYS . 30.5 m-85 -120.04 175.46 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.0 t -124.9 158.24 34.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.07 -44.56 1.73 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.595 ' CD2' ' CB ' ' A' ' 21' ' ' CYS . 6.7 t60 -47.33 -64.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.2 p -101.78 -47.92 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.29 31.18 2.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.462 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.4 ' OD1' HG22 ' A' ' 40' ' ' THR . 0.8 OUTLIER -73.27 155.84 39.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.872 -179.874 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.566 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 9.5 tttm -101.89 23.26 11.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.4 HG22 ' OD1' ' A' ' 38' ' ' ASN . 5.2 t -148.76 130.18 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.483 ' CD1' ' O ' ' A' ' 30' ' ' ARG . 51.4 mt -127.17 145.47 50.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -108.25 114.18 27.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -70.03 137.73 51.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.426 HG12 HG13 ' A' ' 15' ' ' ILE . 6.3 p -143.21 148.11 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 24.6 p -92.75 155.72 17.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.2 m -137.47 123.17 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.0 m -95.9 141.17 29.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.6 mp -94.42 127.99 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -105.25 154.43 20.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -40.94 -52.67 3.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.39 -48.04 77.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.18 38.95 0.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 55.8 p -105.42 162.46 13.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 0.0 111.124 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.0 mt -112.91 118.58 35.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -88.5 102.16 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 47.8 mtp -101.69 133.13 46.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -66.99 108.17 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -63.72 142.71 58.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.5 t -93.93 123.96 37.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -97.54 142.72 29.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -83.55 153.17 64.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.601 0.715 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 173.5 10.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 64' ' ' VAL . 28.3 ttmt 45.9 41.26 7.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 63' ' ' LYS . 33.7 m -34.21 121.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.8 tp -151.56 137.17 17.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -80.82 146.77 60.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.72 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 91.06 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.355 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -118.02 90.1 3.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.27 102.23 2.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.527 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 46.0 mt -149.09 134.1 18.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.787 0.327 . . . . 0.0 110.928 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -129.79 168.37 16.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -88.93 112.78 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.7 t -159.67 141.86 13.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 t -164.64 177.71 7.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.71 128.14 1.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 86.38 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.352 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.6 t -41.09 -49.92 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t 57.92 42.17 23.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -132.3 -55.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 110.861 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -112.47 131.48 55.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.44 96.98 0.18 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -131.12 158.81 39.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 m -140.13 175.51 9.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.42 -72.08 2.57 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -94.63 130.94 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 10' ' ' GLU . 7.5 ptp85 -69.18 -45.85 68.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 9' ' ' ARG . 4.4 mm-40 -120.27 115.32 23.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.69 126.2 27.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -114.78 151.42 33.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.6 m -107.38 108.88 20.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.574 ' CD2' ' HE2' ' A' ' 43' ' ' LYS . 6.7 m-85 -115.48 171.56 7.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.487 HD11 ' CG1' ' A' ' 44' ' ' VAL . 2.1 pp -158.62 163.43 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -101.18 113.4 26.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 17' ' ' ARG . 34.9 ttt180 -101.28 104.86 15.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 t -55.37 161.14 2.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.402 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 24.3 t-80 -117.09 -51.75 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.02 -23.73 1.19 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.616 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 29.8 p -130.12 -14.41 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.884 0.373 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 19' ' ' HIS . 76.8 m-85 63.8 53.12 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 23.3 mmtt -126.89 152.74 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.9 p -108.53 145.1 35.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.5 t -141.99 136.47 30.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 73.3 p -83.55 88.51 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 26' ' ' SER . 6.6 m-20 -176.42 105.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.4 mtp -88.28 19.81 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -134.61 28.26 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -110.2 111.88 23.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 7.9 p -79.82 -10.84 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 39' ' ' LYS . 4.7 m-85 -138.17 148.09 44.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.7 t -85.1 159.01 20.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -98.33 -37.85 4.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.616 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 18.0 t60 -56.44 -62.25 1.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 0.0 110.834 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.6 p -103.3 -51.72 3.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.41 70.39 0.66 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -121.87 141.21 51.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.902 0.382 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -83.2 10.78 7.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.501 ' O ' ' CG2' ' A' ' 40' ' ' THR . 3.6 t -123.58 117.16 24.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.8 mt -125.21 138.94 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -100.45 124.7 46.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HE2' ' CD2' ' A' ' 14' ' ' TYR . 70.3 tttt -75.46 134.89 40.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.487 ' CG1' HD11 ' A' ' 15' ' ' ILE . 7.1 p -144.22 140.68 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 81.2 p -84.52 143.54 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.805 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.4 m -141.69 117.64 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.8 m -98.29 144.05 28.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.3 mp -94.63 144.85 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -112.66 153.01 28.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -43.0 -46.69 5.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.89 -42.92 89.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.17 74.58 0.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.3 p -135.79 162.27 33.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 111.138 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 mp -105.8 116.41 31.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -101.32 99.54 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.563 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 30.9 mtt -114.07 150.2 34.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -74.23 96.13 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 96.7 m-85 -96.06 128.53 43.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 60' ' ' ARG . 33.1 m -108.36 85.75 2.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' SER . 60.4 ttp85 -35.17 149.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -112.64 152.14 44.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 108.64 2.12 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.671 2.248 . . . . 0.0 112.366 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -76.47 82.88 3.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.4 m -80.16 -30.67 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 41.9 tp -83.76 132.81 34.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -163.75 105.36 0.93 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.645 0.736 . . . . 0.0 110.905 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 149.06 66.43 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.363 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.8 mmm-85 -85.03 176.44 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -149.25 100.87 0.21 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 70' ' ' LEU . 3.8 tt -69.2 144.32 53.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.812 0.339 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -97.94 132.38 43.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -74.28 142.59 45.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.3 m -122.44 106.25 10.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.5 p -73.38 144.26 46.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.32 144.19 10.16 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 145.35 57.0 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.254 . . . . 0.0 112.35 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 t -115.68 92.82 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.4 m -41.45 -47.43 3.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -82.21 41.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.358 . . . . 0.0 110.866 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -132.63 155.54 48.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.82 -112.94 0.53 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 m -135.84 144.58 45.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.918 0.389 . . . . 0.0 110.856 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 t -125.81 114.16 18.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.35 147.68 4.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.1 t -91.87 102.72 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -155.9 125.02 6.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -80.22 129.96 34.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.34 138.16 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -100.84 -179.23 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.16 129.09 15.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 45' ' ' SER . 4.6 m-85 -117.32 153.14 33.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.416 ' C ' HD13 ' A' ' 15' ' ' ILE . 2.3 pp -135.91 163.67 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.1 mt -107.01 115.14 29.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.507 ' CB ' HG21 ' A' ' 24' ' ' THR . 7.4 ptt-85 -108.96 126.21 52.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' LYS . 4.9 t -52.31 172.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 42' ' ' LYS . 1.3 m170 -109.43 -71.47 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.56 -69.56 0.47 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.581 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 29.5 p -68.42 -30.99 70.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.4 t80 75.03 45.52 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -105.75 172.78 6.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.507 HG21 ' CB ' ' A' ' 17' ' ' ARG . 40.6 p -128.6 157.16 42.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 t -152.75 125.1 8.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.7 p -68.6 89.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -175.74 149.99 1.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.5 mmm -124.09 23.9 8.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 30' ' ' ARG . 0.8 OUTLIER -129.11 -37.6 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' ASN . 40.8 mtt-85 -37.02 146.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -129.62 -6.12 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.613 ' CZ ' ' CG ' ' A' ' 39' ' ' LYS . 2.7 m-85 -141.62 134.96 29.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 10.5 t -82.53 157.01 23.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.401 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.02 -38.25 2.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.54 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 20.1 t60 -50.02 -57.22 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.9 p -110.82 -49.04 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.71 75.4 0.76 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -126.61 137.72 53.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.613 ' CG ' ' CZ ' ' A' ' 32' ' ' PHE . 6.3 tmtt? -87.28 9.11 21.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.529 HG23 ' CE1' ' A' ' 19' ' ' HIS . 14.1 t -127.41 110.38 12.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' C ' ' NE2' ' A' ' 19' ' ' HIS . 93.7 mt -104.36 172.72 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -127.84 128.18 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.818 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -77.98 129.68 35.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 p -141.31 137.82 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 34.6 t -82.94 148.6 27.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.8 m -133.76 141.09 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.115 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -91.63 154.2 19.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.438 HD11 ' N ' ' A' ' 48' ' ' ILE . 5.0 mp -105.83 117.72 52.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ASP . 4.3 m120 -91.36 151.56 20.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -36.86 -68.61 0.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -54.37 -44.35 72.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.54 60.25 0.28 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.2 p -114.35 164.43 13.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.848 0.356 . . . . 0.0 111.121 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mp -94.5 141.89 28.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -145.95 109.47 4.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.4 mtt -115.66 115.68 26.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -95.23 97.35 9.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -113.45 143.96 43.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.3 t -62.6 149.76 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.427 ' HD2' ' C ' ' A' ' 60' ' ' ARG . 0.4 OUTLIER -81.35 162.55 23.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -119.91 150.39 50.68 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.626 0.727 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 100.78 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.323 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -128.09 -53.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.8 m -95.59 125.52 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.7 tp -171.67 114.23 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -98.06 121.46 57.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.668 0.747 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -43.47 2.64 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.701 2.267 . . . . 0.0 112.326 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -167.78 132.94 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.33 156.4 23.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.432 ' CD2' ' H ' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -73.89 115.83 13.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -91.01 163.39 14.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -122.46 148.59 44.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m -109.41 166.9 10.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.5 m -147.86 161.99 40.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.55 110.18 0.27 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 171.48 14.38 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.691 2.261 . . . . 0.0 112.396 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.1 m -150.07 119.65 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.9 m -166.44 174.76 8.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.3 p -46.07 -45.39 16.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.855 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 t -59.55 128.0 34.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 104.01 -85.68 0.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLY . 27.4 p 36.83 41.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.0 110.874 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -74.19 131.59 41.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.32 108.47 0.65 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.4 t -91.66 95.62 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 111.139 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 9' ' ' ARG . 8.4 ttt180 -85.48 112.34 20.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -89.31 118.75 29.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -112.39 95.95 5.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -87.85 89.32 7.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m -76.2 109.09 9.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 45' ' ' SER . 3.8 m-85 -111.48 163.49 13.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 pt -142.6 169.13 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.7 mt -109.27 112.86 25.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 ttp-105 -93.18 107.64 19.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.5 t -56.4 170.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.462 ' CE1' HG21 ' A' ' 40' ' ' THR . 1.2 m170 -118.55 -52.29 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.97 -20.17 8.04 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 31.7 p -131.33 -23.92 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.412 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 35.9 m-85 71.62 35.49 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -103.51 169.02 8.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.2 p -121.66 143.28 49.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.8 t -138.89 127.31 22.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -65.77 91.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -175.14 136.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.9 mmt -116.08 23.16 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -134.9 -37.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -43.5 138.59 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.9 p -115.93 -9.68 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 1.2 m-85 -131.03 138.22 49.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 13.0 t -85.54 158.89 20.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -101.56 -41.13 2.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.406 ' CD2' ' CB ' ' A' ' 21' ' ' CYS . 23.5 t60 -52.43 -61.81 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 31.4 p -106.5 -48.77 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.402 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 106.56 84.79 1.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.414 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 3.8 m-20 -126.36 140.55 52.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.884 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 2.7 tttm -87.61 7.11 31.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.521 ' O ' ' CG2' ' A' ' 40' ' ' THR . 2.2 t -133.85 117.29 16.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.148 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.8 mt -120.8 139.11 53.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HG2' ' CE1' ' A' ' 19' ' ' HIS . 23.0 mmtt -96.83 127.6 42.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' CE ' ' CD2' ' A' ' 14' ' ' TYR . 69.1 tttt -77.87 136.93 38.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.439 HG21 ' N ' ' A' ' 45' ' ' SER . 3.2 p -143.03 144.43 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 21.5 t -86.88 154.75 20.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.455 HG11 ' CG ' ' A' ' 56' ' ' MET . 17.4 m -143.39 156.62 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.1 m -118.75 141.55 48.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.3 mm -101.3 100.61 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -77.22 153.32 34.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -41.84 -49.27 4.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.85 -43.06 94.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.95 38.67 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 61.6 p -106.4 158.82 16.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 111.134 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.3 mt -103.14 163.72 12.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -129.75 82.02 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.455 ' CG ' HG11 ' A' ' 46' ' ' VAL . 21.2 mtp -121.07 111.65 17.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.487 ' H ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -113.15 136.86 52.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -80.66 156.34 26.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.1 t -83.42 -45.93 13.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -110.84 140.21 45.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -74.5 147.78 85.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -10.74 29.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.4 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt 44.56 46.15 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.6 m -111.45 -178.52 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -90.15 141.06 29.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -91.78 140.15 24.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.582 0.705 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 167.87 23.19 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.349 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -150.27 171.24 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.34 173.56 6.7 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.45 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.6 tt -86.14 153.72 21.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.776 0.322 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -149.11 122.67 9.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.448 ' CD2' ' O ' ' A' ' 73' ' ' SER . 61.7 t80 -135.51 161.11 36.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.448 ' O ' ' CD2' ' A' ' 72' ' ' TYR . 73.7 p -88.35 174.79 7.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -156.26 174.57 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.798 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.84 137.1 4.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -50.23 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.727 2.284 . . . . 0.0 112.333 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 83.1 p 38.29 42.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.0 p -71.46 153.12 42.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.423 ' O ' HG22 ' A' ' 46' ' ' VAL . 24.4 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 45' ' ' SER . 5.8 m-85 -123.2 174.55 7.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.521 HG13 HG13 ' A' ' 44' ' ' VAL . 2.5 pt -156.16 162.04 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.175 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.0 mt -102.79 116.89 33.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -104.31 113.75 27.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.4 t -63.42 176.82 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -117.43 -71.45 0.74 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.92 -35.5 0.38 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 35' ' ' HIS . 23.6 p -113.1 -32.41 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.916 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 t80 74.91 38.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -105.75 143.44 33.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.3 p -104.25 134.23 47.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 t -124.72 130.22 51.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -61.87 89.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.43 ' CG ' ' HG3' ' A' ' 30' ' ' ARG . 2.5 t0 -176.39 125.64 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 75.2 mmm -108.37 19.18 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -131.05 -35.21 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.43 ' HG3' ' CG ' ' A' ' 27' ' ' ASP . 35.5 mtp180 -48.39 150.69 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.607 HG13 ' HD1' ' A' ' 32' ' ' PHE . 6.9 p -118.33 -18.43 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.607 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 27.0 m-85 -108.92 168.24 9.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.8 t -115.22 158.98 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.42 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -104.37 -46.7 1.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.411 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.9 t-160 -44.1 -60.88 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.3 p -107.27 -47.48 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 33' ' ' CYS . . . 117.63 28.27 2.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -63.28 155.49 28.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.607 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 6.2 ttpt -103.97 15.91 27.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 40' ' ' THR . 12.6 t -144.74 129.9 18.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.9 mt -126.24 134.02 51.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.14 132.54 42.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -78.88 133.92 36.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.521 HG13 HG13 ' A' ' 15' ' ' ILE . 3.6 p -139.9 140.76 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.453 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 95.0 p -82.45 160.78 22.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 13' ' ' SER . 22.7 m -148.51 144.14 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.1 m -103.07 148.43 25.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.19 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.5 mm -112.45 142.54 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -121.23 153.33 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -42.1 -44.61 3.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -66.74 -44.15 82.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.53 67.15 0.51 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.9 p -127.8 160.93 30.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 111.182 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 66.4 mt -113.82 129.5 56.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -127.1 124.23 38.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.928 0.394 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 6.0 m-85 -104.63 154.16 20.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.951 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.412 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.5 pp -140.7 159.13 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.8 mt -100.48 113.61 26.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 18' ' ' CYS . 48.9 ttt180 -107.62 95.0 5.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 17' ' ' ARG . 8.3 t -43.01 166.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -115.93 -52.78 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.98 -18.62 1.17 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.597 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 28.3 p -133.4 -22.75 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 70.87 40.38 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.4 tptt -112.56 143.61 43.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.8 p -100.05 146.72 26.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 25' ' ' THR . 7.4 t -139.95 125.59 19.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.7 p -63.44 89.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CG ' ' HG3' ' A' ' 30' ' ' ARG . 3.4 t70 -175.6 147.87 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.9 mmt -125.83 9.73 7.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -134.96 32.47 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.866 ' O ' HD12 ' A' ' 41' ' ' LEU . 27.0 mtt180 -109.11 114.28 27.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.689 HG13 ' HD1' ' A' ' 32' ' ' PHE . 8.3 p -87.94 -9.79 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.689 ' HD1' HG13 ' A' ' 31' ' ' VAL . 5.5 m-85 -122.63 167.68 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.9 t -118.64 159.58 23.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -106.72 -47.52 1.03 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.538 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.597 ' CE1' ' HB2' ' A' ' 21' ' ' CYS . 4.4 t-80 -42.84 -56.19 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.7 p -111.68 -47.02 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.72 25.95 2.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -68.39 155.34 40.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.597 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 14.4 tttm -106.27 20.59 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 40' ' ' THR . 11.5 t -145.3 125.35 13.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.866 HD12 ' O ' ' A' ' 30' ' ' ARG . 80.4 mt -121.56 142.95 49.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -106.25 116.31 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -68.84 133.29 48.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 p -140.88 141.73 31.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 85.1 p -83.44 153.08 24.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.443 HG12 ' HG3' ' A' ' 56' ' ' MET . 23.0 m -144.06 137.51 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 50.4 m -91.26 145.8 24.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.3 mm -104.48 95.14 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -71.73 154.9 41.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -40.9 -59.46 1.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -59.63 -43.54 93.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.33 78.12 0.74 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.3 p -137.02 157.12 47.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.144 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.7 mt -95.6 120.33 35.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -112.44 98.42 7.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.443 ' HG3' HG12 ' A' ' 46' ' ' VAL . 25.6 mtm . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.586 ' CD2' ' HE2' ' A' ' 43' ' ' LYS . 10.0 m-85 -109.05 172.0 7.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.464 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.4 pp -158.32 159.67 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.605 HD13 ' CD1' ' A' ' 41' ' ' LEU . 77.9 mt -99.5 115.99 30.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.431 ' HG3' HG22 ' A' ' 24' ' ' THR . 10.7 ttp180 -104.83 94.24 5.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' LYS . 5.6 t -45.67 169.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -117.64 -52.52 2.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.2 -19.23 15.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 20.4 p -134.7 -0.69 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 2.1 p90 47.83 34.44 3.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 18' ' ' CYS . 40.7 tptt -99.51 155.0 17.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.431 HG22 ' HG3' ' A' ' 17' ' ' ARG . 69.3 p -114.82 145.58 41.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 t -140.06 134.27 31.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.195 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 86.1 p -73.39 90.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 26' ' ' SER . 8.1 m-20 -175.13 146.59 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.2 mmt -124.08 21.07 8.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -134.86 -36.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -45.22 121.93 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 p -97.52 -10.53 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.609 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 6.0 m-85 -126.37 132.02 51.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.54 ' HB2' HD21 ' A' ' 41' ' ' LEU . 13.3 t -78.75 159.48 27.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.36 -42.5 2.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 21' ' ' CYS . 3.2 t-80 -48.68 -58.68 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.832 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.5 p -108.95 -48.52 3.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 33' ' ' CYS . . . 120.87 25.44 2.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -72.94 129.95 39.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.609 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -81.11 -2.26 47.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 40' ' ' THR . 5.8 t -117.66 119.71 35.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.605 ' CD1' HD13 ' A' ' 16' ' ' LEU . 41.7 mt -120.96 136.69 54.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.967 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -95.25 119.58 34.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.586 ' HE2' ' CD2' ' A' ' 14' ' ' TYR . 62.3 tttt -70.44 133.5 46.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 p -141.56 138.81 32.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.567 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 23.5 p -85.37 153.19 22.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 55' ' ' HIS . 29.5 m -145.33 156.19 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 84.8 m -116.56 144.21 44.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.6 mm -104.93 97.71 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -71.17 154.71 41.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -44.62 -50.87 9.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.94 -47.3 71.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.41 42.45 0.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.8 p -109.35 153.16 24.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.155 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.1 mt -96.57 154.64 17.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.536 ' O ' HG12 ' A' ' 46' ' ' VAL . 79.8 m-70 -133.52 118.79 18.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.8 mtt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.1 m . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 5.3 m-85 -118.06 156.71 28.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.907 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.631 HD13 ' HB ' ' A' ' 24' ' ' THR . 2.1 pp -141.33 163.32 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.456 HD13 HD13 ' A' ' 41' ' ' LEU . 69.3 mt -100.06 114.44 27.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -95.83 111.44 23.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.73 175.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.473 ' NE2' ' HG2' ' A' ' 42' ' ' LYS . 2.5 m80 -116.7 -71.42 0.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' HIS . . . -38.09 -38.08 0.52 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.431 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 28.3 p -110.91 -30.2 7.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 73.89 35.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 2.6 tptp -97.18 178.53 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.631 ' HB ' HD13 ' A' ' 15' ' ' ILE . 46.5 p -131.43 133.03 44.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 25' ' ' THR . 13.0 t -125.74 126.9 45.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.145 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.3 p -67.1 92.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.472 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 5.9 t0 -175.4 137.77 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.6 mmt -117.07 20.66 13.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -134.96 -36.17 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 39.2 mtt180 -48.36 157.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.595 HG13 ' CD2' ' A' ' 32' ' ' PHE . 7.6 p -126.13 -19.52 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.595 ' CD2' HG13 ' A' ' 31' ' ' VAL . 78.1 m-85 -109.76 158.44 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.3 t -100.27 156.67 17.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.94 -48.82 3.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -55.03 -64.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 19.6 p -106.07 -47.74 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.439 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 98.32 91.48 1.96 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 27.6 t-20 -121.65 145.54 47.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.875 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.446 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 20.5 mtpt -83.48 3.57 31.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 40' ' ' THR . 2.6 t -130.56 117.88 20.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.456 HD13 HD13 ' A' ' 16' ' ' LEU . 82.7 mt -123.28 131.53 53.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.473 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -94.08 125.29 38.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.789 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -76.78 132.38 39.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.9 p -141.16 146.96 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 23.4 p -90.63 144.07 26.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 55' ' ' HIS . 20.1 m -137.94 134.62 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.496 HG22 ' HB2' ' A' ' 55' ' ' HIS . 8.8 t -88.47 154.46 20.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.2 mm -90.08 118.37 35.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -95.44 155.2 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -48.07 -43.63 30.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.619 ' O ' HG23 ' A' ' 53' ' ' THR . 1.7 p30 -91.47 37.22 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' ASP . . . 33.88 76.41 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 51' ' ' ASP . 59.0 p -136.57 138.34 41.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 111.125 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.54 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 86.9 mt -57.45 175.4 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 54' ' ' LEU . 68.3 m-70 -166.82 126.0 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.895 0.378 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 45' ' ' SER . 14.5 m-85 -107.77 155.78 19.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.509 HG13 HG13 ' A' ' 44' ' ' VAL . 1.8 pt -142.69 165.32 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.9 mt -102.83 114.29 28.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.638 ' HG3' HG22 ' A' ' 24' ' ' THR . 2.1 ttt-85 -97.41 114.35 26.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 t -69.75 165.93 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -118.91 -52.72 2.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.97 -19.78 1.1 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.631 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 22.8 p -134.95 -26.43 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 75.04 42.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.4 tppp? -111.97 142.26 44.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.638 HG22 ' HG3' ' A' ' 17' ' ' ARG . 44.8 p -102.09 136.83 41.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 25' ' ' THR . 12.4 t -133.03 126.12 31.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -66.87 90.13 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.456 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 6.3 t0 -175.46 135.99 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mmm -115.3 21.85 13.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -134.45 -35.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.456 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 70.0 mtt-85 -46.61 123.13 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.786 HG13 ' CD2' ' A' ' 32' ' ' PHE . 9.9 p -90.24 -17.92 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.786 ' CD2' HG13 ' A' ' 31' ' ' VAL . 89.8 m-85 -117.09 157.66 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 14.4 t -95.7 159.2 15.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.417 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -93.29 -43.68 3.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.461 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.631 ' CE1' ' HB2' ' A' ' 21' ' ' CYS . 3.1 t-80 -59.0 -61.96 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 25.3 p -107.52 -48.62 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.421 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 99.38 83.83 1.75 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -117.53 152.84 34.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.427 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 26.5 mtpt -89.99 12.81 16.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 40' ' ' THR . 3.0 t -138.87 115.95 10.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.192 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.4 mt -124.59 139.76 53.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.8 132.57 45.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -77.18 138.19 39.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.509 HG13 HG13 ' A' ' 15' ' ' ILE . 2.7 p -143.19 140.4 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.576 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 83.0 p -86.59 146.01 26.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.594 HG12 ' HG3' ' A' ' 56' ' ' MET . 20.5 m -142.93 134.85 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.1 m -90.6 151.37 21.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.8 mm -116.11 135.59 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -106.51 155.28 19.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.55 -50.5 4.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.47 -44.51 96.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.26 72.35 0.42 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.2 p -127.01 161.75 27.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 111.102 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.2 mt -114.1 139.92 48.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -129.72 106.12 8.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.594 ' HG3' HG12 ' A' ' 46' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.899 0.38 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.459 ' CZ ' ' OG ' ' A' ' 45' ' ' SER . 3.9 m-85 -109.48 156.54 19.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.422 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.6 pp -139.19 158.89 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -99.4 113.13 25.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' HG3' HG22 ' A' ' 24' ' ' THR . 37.5 ttt180 -102.13 110.64 22.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.94 177.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 21' ' ' CYS . 65.3 t-80 -117.93 -70.79 0.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.91 -24.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.586 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 29.3 p -127.94 -4.95 5.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.586 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 48.3 p90 47.29 38.53 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.553 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 1.8 mmmp? -95.44 179.81 5.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.503 HG22 ' HG3' ' A' ' 17' ' ' ARG . 62.6 p -136.08 149.28 48.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 25' ' ' THR . 14.9 t -147.03 115.07 6.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.458 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 2.8 m -62.51 91.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.501 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.2 m-20 -176.05 110.1 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.3 mmt -91.22 29.67 1.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -135.01 -37.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.501 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 39.9 mtt-85 -59.59 144.75 46.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 p -116.79 -15.93 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.626 ' CE1' ' HG3' ' A' ' 39' ' ' LYS . 24.1 m-85 -102.87 172.33 6.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.8 t -117.22 153.9 32.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.13 -45.34 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.553 ' CG ' ' HG3' ' A' ' 23' ' ' LYS . 37.8 t-80 -48.66 -70.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 19.2 p -93.09 -47.3 7.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 116.07 25.83 3.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.542 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -64.05 156.07 29.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.626 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 5.0 ttpt -104.02 10.06 36.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 40' ' ' THR . 5.8 t -138.04 127.42 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.1 mt -119.82 146.43 45.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -105.45 117.64 34.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -70.07 137.2 51.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.3 p -142.2 152.44 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.459 ' OG ' ' CZ ' ' A' ' 14' ' ' TYR . 1.4 m -90.63 133.36 35.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.2 m -136.1 121.83 29.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.1 m -85.7 147.17 26.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.4 mm -108.12 109.16 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.074 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' ASP . 6.9 t-20 -84.62 154.45 22.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' ASN . 10.1 m-20 -38.09 -60.0 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -48.07 -49.73 30.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.47 49.4 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.525 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.6 p -114.19 155.2 26.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 111.125 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 35.4 mt -102.03 144.7 30.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -125.54 104.09 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.7 mmt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.3 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.882 0.372 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 45' ' ' SER . 6.6 m-85 -125.39 152.76 44.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.481 ' CD1' ' HG3' ' A' ' 17' ' ' ARG . 2.3 pp -138.08 160.4 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 43' ' ' LYS . 40.0 mt -102.43 115.76 31.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.66 ' HD3' HG11 ' A' ' 44' ' ' VAL . 19.2 mtp180 -99.34 98.49 9.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.1 t -46.07 170.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.579 ' CE1' ' ND2' ' A' ' 38' ' ' ASN . 31.7 p80 -118.93 -50.81 2.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.483 ' N ' ' CG ' ' A' ' 19' ' ' HIS . . . -53.94 -20.67 14.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.623 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 28.5 p -133.52 -17.82 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 7.8 m-85 65.26 36.2 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -100.6 167.87 10.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.449 HG22 ' CG ' ' A' ' 17' ' ' ARG . 17.0 p -119.09 142.01 48.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.512 ' O ' HG23 ' A' ' 25' ' ' THR . 8.2 t -137.04 122.97 20.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.4 p -64.29 89.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -175.03 154.35 1.8 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.7 mmt -131.01 8.74 4.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -132.66 32.56 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.482 ' O ' HD12 ' A' ' 41' ' ' LEU . 33.7 mtt-85 -97.91 141.45 30.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.4 p -119.59 -5.65 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.583 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 3.7 m-85 -145.09 132.99 21.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 10.9 t -87.62 158.79 18.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.416 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.67 -43.95 1.74 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.623 ' CE1' ' HB2' ' A' ' 21' ' ' CYS . 15.3 t-80 -43.42 -62.03 1.19 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.96 -48.52 3.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.39 68.57 0.61 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.579 ' ND2' ' CE1' ' A' ' 19' ' ' HIS . 2.8 m120 -121.21 153.92 36.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.583 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 5.4 ttmt -99.73 9.92 42.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 40' ' ' THR . 6.0 t -125.24 113.27 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.545 HD13 HD13 ' A' ' 16' ' ' LEU . 96.4 mt -110.95 149.04 31.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.452 ' HD3' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -112.65 114.05 26.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.596 ' HA ' HD23 ' A' ' 16' ' ' LEU . 23.8 tttt -73.93 136.4 43.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.66 HG11 ' HD3' ' A' ' 17' ' ' ARG . 3.9 p -142.31 150.37 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.126 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 85.7 p -92.11 153.78 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.521 HG12 ' HG3' ' A' ' 56' ' ' MET . 14.3 m -137.94 128.78 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.7 m -87.56 153.61 21.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.3 mp -91.18 128.94 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 50' ' ' ASP . 28.6 t-20 -105.53 155.47 19.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 49' ' ' ASN . 76.5 m-20 -34.07 -63.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -64.68 -40.35 95.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.79 28.5 3.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.45 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 54' ' ' LEU . 2.6 m -79.46 164.59 23.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 111.156 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.422 ' N ' HG22 ' A' ' 53' ' ' THR . 25.6 mt -76.46 125.07 28.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -133.83 113.72 12.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.521 ' HG3' HG12 ' A' ' 46' ' ' VAL . 2.7 mpt? . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -115.01 156.43 25.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.433 ' CD1' ' CG1' ' A' ' 44' ' ' VAL . 2.5 pp -140.28 164.78 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.761 HD13 HD13 ' A' ' 41' ' ' LEU . 96.3 mt -100.49 113.94 27.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.524 ' HB2' HG11 ' A' ' 44' ' ' VAL . 18.2 ttp180 -101.25 94.94 6.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 t -49.05 168.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -116.3 -53.41 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.34 -19.93 2.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.52 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.591 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 28.2 p -131.86 -16.96 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 28.2 m-85 63.94 31.57 13.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -101.01 167.81 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.7 p -122.71 144.87 48.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 25' ' ' THR . 15.1 t -138.82 120.98 15.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.5 p -65.34 88.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -176.9 112.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 74.4 mmm -94.52 26.46 3.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -133.03 -35.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -54.5 123.39 12.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.457 HG13 ' CD2' ' A' ' 32' ' ' PHE . 11.1 p -97.01 -12.73 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.65 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 20.5 m-85 -117.9 157.41 26.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.0 t -114.2 153.82 28.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.38 -38.52 2.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.591 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 3.2 t-160 -46.48 -54.6 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 110.829 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.7 p -116.16 -48.08 2.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.34 72.22 0.72 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -124.63 155.44 39.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.65 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 1.4 ttpt -99.33 5.28 46.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 40' ' ' THR . 5.1 t -123.19 116.62 23.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.761 HD13 HD13 ' A' ' 16' ' ' LEU . 81.2 mt -117.6 138.24 52.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -98.71 122.84 42.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -74.87 136.43 41.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.524 HG11 ' HB2' ' A' ' 17' ' ' ARG . 3.6 p -142.29 148.61 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -82.61 161.62 22.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.6 m -154.73 118.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.2 m -107.5 143.06 36.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.493 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.5 mp -94.74 111.38 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -77.21 152.41 34.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -43.79 -49.32 8.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.83 -43.62 98.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.43 68.16 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.7 p -138.83 162.61 34.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.847 0.356 . . . . 0.0 111.137 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.2 mp -98.23 159.39 14.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -135.56 115.87 13.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 41.5 mtt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.877 0.37 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 5.2 m-85 -119.68 153.26 35.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.406 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.4 pp -140.11 162.86 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.4 mt -99.18 112.13 24.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.472 ' HG3' HG22 ' A' ' 24' ' ' THR . 44.5 ttt85 -96.71 116.78 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.5 t -69.67 163.53 25.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -115.85 -51.64 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.806 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -43.66 -26.53 0.73 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 30.2 p -129.43 -16.47 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.912 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 7.5 m-85 65.72 54.84 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.602 ' HD2' ' CD2' ' A' ' 35' ' ' HIS . 5.8 mtpm? -124.78 179.55 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.472 HG22 ' HG3' ' A' ' 17' ' ' ARG . 45.4 p -129.71 147.84 51.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.175 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.2 t -142.82 136.33 28.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 37.3 p -78.04 89.17 4.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 26' ' ' SER . 3.7 m-20 -175.78 120.84 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 14' ' ' TYR . 74.3 mmm -101.39 23.19 11.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -134.93 -35.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.0 mtt-85 -44.34 139.55 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.771 HG13 ' HD1' ' A' ' 32' ' ' PHE . 4.3 p -112.05 -15.18 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.771 ' HD1' HG13 ' A' ' 31' ' ' VAL . 5.7 m-85 -123.81 127.06 47.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.2 t -62.25 155.35 24.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.74 -42.1 3.95 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.602 ' CD2' ' HD2' ' A' ' 23' ' ' LYS . 49.3 t-80 -58.4 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 27.3 p -104.65 -48.84 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.412 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 106.54 90.96 2.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -125.97 149.16 48.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.876 0.369 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.694 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 27.1 mtpt -91.35 6.61 44.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 40' ' ' THR . 5.0 t -135.17 113.95 11.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -119.46 135.4 54.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.85 123.07 36.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -73.43 136.42 44.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.8 p -143.1 146.08 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 96.4 p -83.18 154.04 24.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.4 m -152.97 133.21 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.3 m -88.88 142.39 27.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.4 mm -105.82 100.26 10.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -68.17 151.86 46.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -40.75 -46.78 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -63.88 -45.25 90.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.61 57.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.7 p -125.48 163.22 23.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mp -109.57 156.21 20.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -144.92 106.31 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.1 mtt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.482 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 14.5 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.878 0.371 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.577 ' CZ ' ' CB ' ' A' ' 45' ' ' SER . 4.7 m-85 -108.63 164.56 12.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.587 HG13 HG13 ' A' ' 44' ' ' VAL . 4.9 pt -140.64 169.87 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.67 HD13 ' CD1' ' A' ' 41' ' ' LEU . 91.9 mt -108.56 115.52 30.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.755 ' HD3' HG11 ' A' ' 44' ' ' VAL . 11.7 mtp-105 -97.79 106.43 18.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 t -61.74 165.67 4.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -116.16 -53.51 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.87 -18.33 1.06 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.434 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.522 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 32.1 p -133.53 -20.73 2.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 68.84 32.78 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -99.43 166.25 11.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.675 HG22 ' HG2' ' A' ' 17' ' ' ARG . 70.3 p -121.97 136.18 54.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.171 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.467 ' O ' HG23 ' A' ' 25' ' ' THR . 12.8 t -130.7 125.45 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.181 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.4 t -68.23 89.12 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.2 t0 -176.27 129.46 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.458 ' HE3' ' HB3' ' A' ' 14' ' ' TYR . 8.8 mmt -108.48 22.43 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -132.74 -37.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 15.8 mtt-85 -46.49 125.79 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.706 HG13 ' CD1' ' A' ' 32' ' ' PHE . 10.5 p -94.01 -16.36 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.706 ' CD1' HG13 ' A' ' 31' ' ' VAL . 33.6 m-85 -114.16 177.82 4.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.1 t -123.14 158.12 31.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.822 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -102.16 -42.81 2.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.522 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 2.8 t-160 -48.44 -61.83 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.403 ' SG ' ' OD1' ' A' ' 38' ' ' ASN . 29.4 p -107.11 -48.35 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 33' ' ' CYS . . . 116.14 31.67 1.83 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.528 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.403 ' OD1' ' SG ' ' A' ' 36' ' ' CYS . 6.4 m120 -70.72 155.16 41.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.597 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 4.7 ttpt -100.38 -0.91 37.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 40' ' ' THR . 6.5 t -123.77 120.17 31.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.67 ' CD1' HD13 ' A' ' 16' ' ' LEU . 43.5 mt -116.21 141.77 47.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.74 128.88 47.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.503 ' HE2' ' CD2' ' A' ' 14' ' ' TYR . 21.6 tttm -76.98 138.07 39.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.755 HG11 ' HD3' ' A' ' 17' ' ' ARG . 2.2 p -138.79 146.53 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.577 ' CB ' ' CZ ' ' A' ' 14' ' ' TYR . 74.8 p -93.91 140.83 29.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 13' ' ' SER . 6.9 m -135.92 150.95 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.0 m -107.8 149.38 28.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.6 mm -108.6 105.11 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.171 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -75.7 155.36 35.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.97 -35.85 5.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 27.7 t70 -84.81 33.76 0.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 39.58 77.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 51' ' ' ASP . 40.1 p -138.33 160.83 38.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 111.14 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.5 mp -111.39 135.42 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -128.54 108.41 10.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.584 ' HB3' ' HE3' ' A' ' 28' ' ' MET . 5.4 m-85 -122.08 152.87 39.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.444 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.5 pp -132.63 170.73 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.426 ' CD1' ' O ' ' A' ' 30' ' ' ARG . 85.4 mt -106.41 113.97 27.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HG3' HG22 ' A' ' 24' ' ' THR . 14.6 ttt85 -101.22 124.45 46.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.7 t -77.63 174.63 10.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -118.72 -68.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.44 -34.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.419 ' HB2' ' ND1' ' A' ' 35' ' ' HIS . 30.6 p -115.01 -31.7 5.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.896 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 t80 74.96 43.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.623 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 1.8 mptp? -114.37 153.25 30.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.485 HG22 ' HG3' ' A' ' 17' ' ' ARG . 71.1 p -109.55 141.61 41.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.471 ' O ' HG23 ' A' ' 25' ' ' THR . 13.2 t -133.71 125.96 29.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.457 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 79.7 p -61.52 90.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.457 ' CG ' ' O ' ' A' ' 26' ' ' SER . 5.2 m-20 -175.05 109.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.584 ' HE3' ' HB3' ' A' ' 14' ' ' TYR . 4.8 mmt -93.25 21.59 5.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -135.03 -35.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.426 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 56.6 mtt180 -55.67 139.06 46.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.547 HG13 ' CD1' ' A' ' 32' ' ' PHE . 7.2 p -107.27 -16.87 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.609 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 38.6 m-85 -102.23 169.17 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 11.7 t -112.8 160.18 18.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.447 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -102.88 -47.5 1.35 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.623 ' CD2' ' HG2' ' A' ' 23' ' ' LYS . 27.9 t-80 -47.69 -68.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.828 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 23.0 p -96.63 -47.42 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 115.26 26.67 3.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -61.88 155.58 23.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.404 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.609 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -102.35 13.97 33.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 40' ' ' THR . 8.2 t -141.15 129.13 21.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.215 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.433 ' C ' ' HE2' ' A' ' 42' ' ' LYS . 89.8 mt -126.0 135.86 52.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.433 ' HE2' ' C ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -93.81 121.91 35.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.429 ' HE3' ' CD2' ' A' ' 14' ' ' TYR . 15.8 ttpt -69.47 131.97 45.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.5 p -141.45 147.29 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 87.4 p -86.19 160.62 19.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 45' ' ' SER . 35.6 m -158.06 129.14 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -98.81 157.16 16.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.3 mp -106.44 94.1 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' ASP . 5.6 t-20 -78.93 153.71 30.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 50' ' ' ASP . 20.8 t0 -37.44 -59.27 0.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.85 -44.05 97.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.92 65.46 0.38 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.453 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.1 p -116.21 157.3 25.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 111.168 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.0 mt -109.42 95.68 5.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -76.53 111.08 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 48.3 mtt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.546 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 8.3 m-85 -127.79 151.82 48.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.509 HD13 ' HB ' ' A' ' 24' ' ' THR . 2.7 pp -140.51 166.77 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.548 HD13 HD13 ' A' ' 41' ' ' LEU . 74.1 mt -101.77 112.47 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.619 ' HG3' HG22 ' A' ' 24' ' ' THR . 15.2 ttm180 -101.14 100.21 10.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -58.04 168.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -115.52 -53.09 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.11 -17.36 0.95 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.594 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 28.0 p -134.67 -27.15 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 t80 75.0 33.22 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -102.68 157.68 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.619 HG22 ' HG3' ' A' ' 17' ' ' ARG . 72.5 p -118.58 139.62 51.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.3 t -132.34 126.21 32.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 3.1 m -70.43 88.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 26' ' ' SER . 11.1 m-20 -175.06 133.76 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.4 mmt -112.14 30.11 7.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -135.0 -38.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.6 mtt-85 -47.67 123.82 6.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.82 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.514 HG13 ' CD2' ' A' ' 32' ' ' PHE . 8.1 p -97.36 -14.16 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.625 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 13.3 m-85 -122.48 151.82 40.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.413 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 8.5 t -97.55 154.58 17.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.76 -43.09 2.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.594 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 3.1 t-160 -45.75 -62.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.9 p -106.78 -48.26 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 33' ' ' CYS . . . 115.75 35.69 1.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -79.56 156.68 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.625 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 2.1 tttt -103.78 1.73 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 40' ' ' THR . 10.4 t -123.24 120.25 32.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.548 HD13 HD13 ' A' ' 16' ' ' LEU . 71.4 mt -120.58 141.3 50.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.0 117.77 34.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HD3' ' CD2' ' A' ' 14' ' ' TYR . 7.9 ttmt -72.01 134.06 45.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.496 HG21 ' NH2' ' A' ' 17' ' ' ARG . 6.8 p -141.27 147.34 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 52.3 p -86.66 151.7 23.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 m -140.59 123.85 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.5 m -97.13 150.9 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.503 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.5 mp -109.67 107.72 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -74.05 154.19 39.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.89 -57.98 2.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -52.38 -49.14 65.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.51 68.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.4 p -136.58 147.76 47.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.148 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.2 mt -99.16 99.13 10.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -84.58 133.73 34.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.423 ' HB3' ' NH2' ' A' ' 17' ' ' ARG . 65.8 mtt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.874 0.369 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.54 ' CD2' ' HE3' ' A' ' 43' ' ' LYS . 4.8 m-85 -117.8 155.39 30.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.596 HG13 HG13 ' A' ' 44' ' ' VAL . 2.8 pt -133.61 165.09 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' A' ' 41' ' ' LEU . 94.7 mt -99.41 112.85 24.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.673 ' HG3' HG22 ' A' ' 24' ' ' THR . 30.0 ttp180 -103.82 103.36 13.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 t -44.03 167.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.451 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 9.1 p-80 -120.22 -41.66 2.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.4 ' N ' ' CG ' ' A' ' 19' ' ' HIS . . . -61.08 -23.6 61.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.511 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -130.51 -11.21 4.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 63.97 36.5 10.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 24' ' ' THR . 3.8 tppp? -102.06 147.79 26.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.673 HG22 ' HG3' ' A' ' 17' ' ' ARG . 20.9 p -106.34 143.33 34.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 t -142.82 134.36 26.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -70.83 89.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.441 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.3 t0 -175.44 133.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.5 mmt -114.09 20.58 15.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -134.35 -37.17 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.536 ' O ' HD12 ' A' ' 41' ' ' LEU . 64.7 mtt-85 -45.68 130.42 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.568 HG13 ' CD2' ' A' ' 32' ' ' PHE . 15.0 p -104.69 -13.17 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.568 ' CD2' HG13 ' A' ' 31' ' ' VAL . 80.8 m-85 -117.26 143.73 45.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.2 t -91.87 161.32 14.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.81 -50.41 1.65 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -52.05 -59.16 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 20.7 p -109.47 -47.95 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 98.45 89.38 1.94 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -126.26 151.95 46.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -90.14 5.48 46.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 40' ' ' THR . 3.7 t -132.72 113.44 12.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 30' ' ' ARG . 85.9 mt -109.67 140.32 43.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -95.61 121.47 37.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.54 ' HE3' ' CD2' ' A' ' 14' ' ' TYR . 10.5 ttpt -71.21 137.43 48.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.596 HG13 HG13 ' A' ' 15' ' ' ILE . 2.1 p -141.95 144.97 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 98.1 p -83.95 161.5 20.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.42 HG12 ' CG ' ' A' ' 56' ' ' MET . 20.0 m -154.54 135.79 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.4 m -99.1 146.63 25.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.4 mm -109.99 143.96 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' ASP . 3.1 t30 -125.13 152.39 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' ASN . 6.5 t70 -37.25 -50.41 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.806 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.29 -42.51 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.812 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.81 81.23 1.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.8 p -128.34 156.16 43.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.834 0.35 . . . . 0.0 111.089 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.7 mt -105.68 110.08 22.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -111.68 103.53 11.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.42 ' CG ' HG12 ' A' ' 46' ' ' VAL . 9.4 mtt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.861 0.362 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 5.4 m-85 -100.14 164.0 12.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.614 HD13 ' HB ' ' A' ' 24' ' ' THR . 2.2 pp -152.64 161.11 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.701 HD13 ' CD1' ' A' ' 41' ' ' LEU . 79.5 mt -100.34 114.01 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.688 ' HG3' HG22 ' A' ' 24' ' ' THR . 51.8 ttt-85 -98.95 99.55 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 22' ' ' PHE . 51.6 t -57.23 164.8 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -116.43 -50.59 2.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.68 -32.87 1.42 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 29.4 p -126.43 -20.13 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.872 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 47.4 m-85 72.81 49.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -118.61 157.31 27.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.688 HG22 ' HG3' ' A' ' 17' ' ' ARG . 33.2 p -116.18 145.65 42.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 25' ' ' THR . 14.4 t -142.82 128.65 19.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 49.7 p -66.32 89.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.467 ' CG ' ' O ' ' A' ' 26' ' ' SER . 8.9 m-20 -175.96 158.56 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.553 ' HE2' ' HG ' ' A' ' 16' ' ' LEU . 8.4 mmt -134.78 27.04 3.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 30' ' ' ARG . 9.0 m-20 -134.63 -40.15 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.473 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -32.64 114.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.929 HG13 ' CD2' ' A' ' 32' ' ' PHE . 7.7 p -91.93 -9.2 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.929 ' CD2' HG13 ' A' ' 31' ' ' VAL . 59.9 m-85 -139.26 104.98 5.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 32' ' ' PHE . 41.2 t -35.77 153.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -91.61 -43.64 4.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.538 ' CD2' ' HG2' ' A' ' 23' ' ' LYS . 36.7 t-80 -58.68 -66.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 23.7 p -104.23 -48.73 3.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 108.82 96.13 2.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -126.11 150.89 47.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 110.916 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.451 ' CG ' ' CE1' ' A' ' 32' ' ' PHE . 32.3 mtpt -92.91 6.35 48.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 40' ' ' THR . 5.2 t -137.31 115.13 11.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.701 ' CD1' HD13 ' A' ' 16' ' ' LEU . 50.4 mt -116.32 134.68 54.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -98.31 116.46 30.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -70.83 134.76 47.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.9 p -142.84 141.78 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.151 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 90.2 p -84.97 146.94 26.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.419 HG12 ' HG2' ' A' ' 56' ' ' MET . 15.0 m -137.99 116.23 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.3 m -88.36 143.79 26.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.8 mp -97.84 150.92 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' ASP . 24.1 t-20 -125.92 153.59 44.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' ASN . 1.2 m-20 -37.66 -60.76 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.53 -44.06 93.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.93 71.6 0.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.5 p -129.98 145.17 51.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.809 0.338 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.2 mt -82.35 152.34 26.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -127.53 82.29 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.586 ' HE3' HD11 ' A' ' 15' ' ' ILE . 25.1 mtp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 9.7 m-85 -106.44 160.2 15.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.453 HG13 HG13 ' A' ' 44' ' ' VAL . 1.5 pt -143.08 162.79 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.471 HD13 HD13 ' A' ' 41' ' ' LEU . 93.0 mt -99.82 115.28 29.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' HB2' HG11 ' A' ' 44' ' ' VAL . 52.9 ttt-85 -97.5 123.21 41.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.6 t -77.55 168.78 19.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.553 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 56.0 t-80 -106.29 -73.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.59 -68.18 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 17.7 p -76.23 -29.15 57.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 19' ' ' HIS . 61.4 m-85 66.2 43.49 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.414 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 43.1 mmtt -108.85 150.81 27.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.7 p -108.13 137.33 46.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.155 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.9 t -133.37 131.93 40.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 28.6 t -73.48 90.02 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.467 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.3 m-20 -175.49 109.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 81.3 mmm -93.34 27.22 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -134.98 -34.08 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.467 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 44.1 mtt180 -51.84 141.37 17.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.749 HG13 ' CD2' ' A' ' 32' ' ' PHE . 14.7 p -109.76 -15.81 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.749 ' CD2' HG13 ' A' ' 31' ' ' VAL . 57.4 m-85 -120.54 110.36 16.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.41 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 14.7 t -37.96 157.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -86.46 -45.61 5.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -61.64 -74.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 24.4 p -90.62 -48.7 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 97.3 84.57 1.75 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -114.3 155.21 26.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.904 0.383 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -86.27 7.76 24.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 40' ' ' THR . 4.8 t -134.16 114.15 12.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.471 HD13 HD13 ' A' ' 16' ' ' LEU . 83.8 mt -123.22 134.01 54.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -95.18 123.92 38.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -72.41 135.92 45.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.503 HG11 ' HB2' ' A' ' 17' ' ' ARG . 2.6 p -142.23 143.1 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.146 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 68.0 p -85.26 148.88 25.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.4 HG21 HD22 ' A' ' 54' ' ' LEU . 28.1 m -146.37 147.96 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -109.9 154.4 23.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.4 mm -105.76 96.73 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -82.13 155.37 25.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.18 -36.03 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.75 ' O ' HG23 ' A' ' 53' ' ' THR . 23.3 t0 -83.64 35.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 51' ' ' ASP . . . 32.73 60.73 0.39 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.498 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 51' ' ' ASP . 30.7 p -126.91 157.45 39.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.155 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.4 HD22 HG21 ' A' ' 46' ' ' VAL . 9.3 mt -110.03 147.27 33.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -113.1 132.87 55.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.869 0.366 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 6.4 m-85 -134.9 149.84 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.556 HD13 ' HB ' ' A' ' 24' ' ' THR . 2.1 pp -137.73 163.75 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.152 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.2 mt -99.87 114.23 27.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.625 ' HG3' HG22 ' A' ' 24' ' ' THR . 18.5 ttt85 -104.68 115.35 30.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.408 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.8 t -59.48 -179.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -116.39 -70.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.89 -26.4 1.17 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.52 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 26.6 p -125.2 3.36 7.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' CYS . 20.7 p90 36.39 32.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 6.3 tptm -87.5 165.67 15.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.625 HG22 ' HG3' ' A' ' 17' ' ' ARG . 16.7 p -123.54 146.64 47.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.4 t -141.07 130.5 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.459 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 64.3 p -68.15 88.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.462 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.6 m-20 -177.22 141.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.426 ' CE ' ' HG3' ' A' ' 43' ' ' LYS . 64.0 mmm -121.87 21.72 10.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -131.98 -34.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.462 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 49.5 mtt-85 -50.67 147.93 4.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.817 HG13 ' HD1' ' A' ' 32' ' ' PHE . 5.7 p -118.17 -17.69 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.817 ' HD1' HG13 ' A' ' 31' ' ' VAL . 2.9 m-85 -109.74 154.38 23.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.454 ' HB3' ' CA ' ' A' ' 37' ' ' GLY . 17.3 t -98.17 149.19 22.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.01 -44.29 7.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -60.4 -74.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 19.9 p -95.73 -47.63 6.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.454 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . . . 102.08 95.45 2.27 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -127.08 139.33 53.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.917 0.389 . . . . 0.0 110.83 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.647 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 37.2 mttt -80.29 -0.47 36.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 40' ' ' THR . 6.5 t -127.66 112.36 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.5 mt -114.07 135.87 53.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -96.97 120.21 36.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.426 ' HG3' ' CE ' ' A' ' 28' ' ' MET . 18.6 ttmt -73.59 137.58 44.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 45' ' ' SER . 2.6 p -142.13 150.19 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 24.4 p -84.48 161.32 20.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.4 m -150.06 130.38 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.3 m -85.5 152.47 23.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.486 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.6 mp -106.21 139.16 28.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -116.16 153.7 31.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -38.58 -52.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.35 -42.72 87.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.19 47.78 0.8 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.6 p -108.1 137.76 45.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 111.113 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.547 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 7.4 mt -70.95 162.26 29.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 54' ' ' LEU . 91.9 m-70 -164.49 120.76 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.58 ' O ' HG22 ' A' ' 46' ' ' VAL . 3.4 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 3.5 m-30 -101.67 155.56 18.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.467 HD11 ' CE ' ' A' ' 56' ' ' MET . 2.2 pt -139.42 179.29 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.111 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.617 HD13 HD13 ' A' ' 41' ' ' LEU . 13.5 mt -116.59 112.9 21.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.457 ' HD3' ' HE2' ' A' ' 56' ' ' MET . 26.2 ttp180 -100.34 89.74 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.1 t -49.17 166.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -113.69 -51.8 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.09 -17.79 0.68 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 24.8 p -133.97 -27.49 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.5 t80 74.81 30.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -109.74 153.83 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.7 p -100.7 147.63 25.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.533 ' O ' HG23 ' A' ' 25' ' ' THR . 5.5 t -135.76 121.62 19.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.432 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 47.5 p -61.48 89.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 26' ' ' SER . 13.2 m-20 -175.09 153.78 1.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.847 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.9 mmt -130.99 6.3 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -134.95 32.2 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.817 ' O ' HD12 ' A' ' 41' ' ' LEU . 30.9 mtt-85 -109.63 111.31 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.658 HG13 ' CD2' ' A' ' 32' ' ' PHE . 9.0 p -82.8 -11.49 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.658 ' CD2' HG13 ' A' ' 31' ' ' VAL . 30.5 m-85 -120.04 175.46 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.0 t -124.9 158.24 34.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.07 -44.56 1.73 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 21' ' ' CYS . 16.5 t-80 -47.33 -64.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.2 p -101.78 -47.92 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.29 31.18 2.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.462 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.589 ' OD1' HG22 ' A' ' 40' ' ' THR . 0.8 OUTLIER -73.27 155.84 39.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.872 -179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.584 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 9.5 tttm -101.89 23.26 11.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.589 HG22 ' OD1' ' A' ' 38' ' ' ASN . 5.2 t -148.76 130.18 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.817 HD12 ' O ' ' A' ' 30' ' ' ARG . 51.4 mt -127.17 145.47 50.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -108.25 114.18 27.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -70.03 137.73 51.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.3 p -143.21 148.11 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 24.6 p -92.75 155.72 17.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 13' ' ' SER . 8.2 m -137.47 123.17 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.1 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.0 m -95.9 141.17 29.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.494 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.6 mp -94.42 127.99 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -105.25 154.43 20.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -40.94 -52.67 3.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.39 -48.04 77.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.18 38.95 0.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 55.8 p -105.42 162.46 13.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 0.0 111.124 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.0 mt -112.91 118.58 35.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -88.5 102.16 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.491 ' HG2' HG12 ' A' ' 46' ' ' VAL . 47.8 mtp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.872 0.367 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.592 ' CD2' ' HE2' ' A' ' 43' ' ' LYS . 6.7 m-85 -115.48 171.56 7.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.448 HG23 ' C ' ' A' ' 14' ' ' TYR . 2.1 pp -158.62 163.43 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -101.18 113.4 26.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 17' ' ' ARG . 34.9 ttt180 -101.28 104.86 15.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 t -55.37 161.14 2.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.402 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 24.3 t-80 -117.09 -51.75 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.02 -23.73 1.19 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.431 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 29.8 p -130.12 -14.41 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.884 0.373 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 76.8 m-85 63.8 53.12 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.636 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 23.3 mmtt -126.89 152.74 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.9 p -108.53 145.1 35.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.5 t -141.99 136.47 30.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 73.3 p -83.55 88.51 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 26' ' ' SER . 6.6 m-20 -176.42 105.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.4 mtp -88.28 19.81 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -134.61 28.26 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.461 ' O ' HD12 ' A' ' 41' ' ' LEU . 14.8 mtt180 -110.2 111.88 23.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 7.9 p -79.82 -10.84 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 4.7 m-85 -138.17 148.09 44.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.7 t -85.1 159.01 20.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -98.33 -37.85 4.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.636 ' CD2' ' HG3' ' A' ' 23' ' ' LYS . 39.9 t-80 -56.44 -62.25 1.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 0.0 110.834 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.6 p -103.3 -51.72 3.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 33' ' ' CYS . . . 109.41 70.39 0.66 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -121.87 141.21 51.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.902 0.382 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -83.2 10.78 7.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 40' ' ' THR . 3.6 t -123.58 117.16 24.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 30' ' ' ARG . 70.8 mt -125.21 138.94 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -100.45 124.7 46.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.592 ' HE2' ' CD2' ' A' ' 14' ' ' TYR . 70.3 tttt -75.46 134.89 40.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -144.22 140.68 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 81.2 p -84.52 143.54 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.805 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.515 HG12 ' HG2' ' A' ' 56' ' ' MET . 19.4 m -141.69 117.64 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.8 m -98.29 144.05 28.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.534 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.3 mp -94.63 144.85 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -112.66 153.01 28.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -43.0 -46.69 5.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.89 -42.92 89.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.17 74.58 0.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.3 p -135.79 162.27 33.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 111.138 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 mp -105.8 116.41 31.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -101.32 99.54 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.515 ' HG2' HG12 ' A' ' 46' ' ' VAL . 30.9 mtt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 45' ' ' SER . 4.6 m-85 -117.32 153.14 33.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.458 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.3 pp -135.91 163.67 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.1 mt -107.01 115.14 29.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.625 ' CB ' HG22 ' A' ' 24' ' ' THR . 7.4 ptt-85 -108.96 126.21 52.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' LYS . 4.9 t -52.31 172.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 42' ' ' LYS . 1.3 m170 -109.43 -71.47 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.56 -69.56 0.47 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -68.42 -30.99 70.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.4 t80 75.03 45.52 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -105.75 172.78 6.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.625 HG22 ' CB ' ' A' ' 17' ' ' ARG . 40.6 p -128.6 157.16 42.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 25' ' ' THR . 7.7 t -152.75 125.1 8.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.7 p -68.6 89.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -175.74 149.99 1.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.5 mmm -124.09 23.9 8.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 30' ' ' ARG . 1.8 t-20 -129.11 -37.6 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' ASN . 40.8 mtt-85 -37.02 146.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -129.62 -6.12 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.613 ' CZ ' ' CG ' ' A' ' 39' ' ' LYS . 2.7 m-85 -141.62 134.96 29.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 10.5 t -82.53 157.01 23.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.401 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.02 -38.25 2.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.54 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -50.02 -57.22 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.9 p -110.82 -49.04 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.71 75.4 0.76 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -126.61 137.72 53.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.613 ' CG ' ' CZ ' ' A' ' 32' ' ' PHE . 6.3 tmtt? -87.28 9.11 21.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 40' ' ' THR . 14.1 t -127.41 110.38 12.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' C ' ' NE2' ' A' ' 19' ' ' HIS . 93.7 mt -104.36 172.72 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.571 ' HB2' ' CD2' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -127.84 128.18 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.818 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -77.98 129.68 35.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 p -141.31 137.82 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 34.6 t -82.94 148.6 27.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.468 HG12 ' HG3' ' A' ' 56' ' ' MET . 7.8 m -133.76 141.09 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -91.63 154.2 19.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 48' ' ' ILE . 5.0 mp -105.83 117.72 52.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ASP . 4.3 m120 -91.36 151.56 20.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -36.86 -68.61 0.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -54.37 -44.35 72.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.54 60.25 0.28 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.2 p -114.35 164.43 13.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.848 0.356 . . . . 0.0 111.121 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mp -94.5 141.89 28.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -145.95 109.47 4.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.468 ' HG3' HG12 ' A' ' 46' ' ' VAL . 8.4 mtt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.851 0.357 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 45' ' ' SER . 3.8 m-85 -111.48 163.49 13.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 pt -142.6 169.13 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.7 mt -109.27 112.86 25.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 ttp-105 -93.18 107.64 19.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.5 t -56.4 170.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.44 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 1.2 m170 -118.55 -52.29 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.97 -20.17 8.04 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -131.33 -23.92 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 71.62 35.49 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -103.51 169.02 8.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.447 HG21 ' HE1' ' A' ' 56' ' ' MET . 63.2 p -121.66 143.28 49.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 25' ' ' THR . 14.8 t -138.89 127.31 22.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -65.77 91.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -175.14 136.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.9 mmt -116.08 23.16 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -134.9 -37.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -43.5 138.59 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.9 p -115.93 -9.68 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.59 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 1.2 m-85 -131.03 138.22 49.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 13.0 t -85.54 158.89 20.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -101.56 -41.13 2.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -52.43 -61.81 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 31.4 p -106.5 -48.77 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.402 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 106.56 84.79 1.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.425 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 3.8 m-20 -126.36 140.55 52.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.884 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.59 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 2.7 tttm -87.61 7.11 31.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 40' ' ' THR . 2.2 t -133.85 117.29 16.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.148 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.8 mt -120.8 139.11 53.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.44 ' HG2' ' CE1' ' A' ' 19' ' ' HIS . 23.0 mmtt -96.83 127.6 42.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HE3' ' CD2' ' A' ' 14' ' ' TYR . 69.1 tttt -77.87 136.93 38.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.2 p -143.03 144.43 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 21.5 t -86.88 154.75 20.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.492 HG12 ' CG ' ' A' ' 56' ' ' MET . 17.4 m -143.39 156.62 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.1 m -118.75 141.55 48.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.3 mm -101.3 100.61 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -77.22 153.32 34.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -41.84 -49.27 4.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.85 -43.06 94.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.95 38.67 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 61.6 p -106.4 158.82 16.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 111.134 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.3 mt -103.14 163.72 12.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -129.75 82.02 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.492 ' CG ' HG12 ' A' ' 46' ' ' VAL . 21.2 mtp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -58.49 152.02 18.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.7 m -154.18 122.89 6.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.65 -163.01 37.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -168.94 137.39 2.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.354 . . . . 0.0 110.891 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.476 ' O ' ' C ' ' A' ' 7' ' ' GLY . 5.7 t -136.56 163.63 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -31.75 118.17 0.12 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.446 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 8' ' ' VAL . 7.5 p -106.92 121.77 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER -76.46 176.21 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -74.5 126.6 31.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -119.52 136.1 54.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.444 ' HB3' ' CE1' ' A' ' 14' ' ' TYR . 55.8 mmt-85 -120.41 87.15 2.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.423 ' O ' HG22 ' A' ' 46' ' ' VAL . 24.4 p -67.9 108.46 3.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 45' ' ' SER . 5.8 m-85 -123.2 174.55 7.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.521 HG13 HG13 ' A' ' 44' ' ' VAL . 2.5 pt -156.16 162.04 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.175 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.0 mt -102.79 116.89 33.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -104.31 113.75 27.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.4 t -63.42 176.82 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -117.43 -71.45 0.74 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.92 -35.5 0.38 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 35' ' ' HIS . 23.6 p -113.1 -32.41 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.916 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 t80 74.91 38.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -105.75 143.44 33.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.3 p -104.25 134.23 47.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 t -124.72 130.22 51.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -61.87 89.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.43 ' CG ' ' HG3' ' A' ' 30' ' ' ARG . 2.5 t0 -176.39 125.64 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 75.2 mmm -108.37 19.18 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -131.05 -35.21 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.43 ' HG3' ' CG ' ' A' ' 27' ' ' ASP . 35.5 mtp180 -48.39 150.69 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.607 HG13 ' HD1' ' A' ' 32' ' ' PHE . 6.9 p -118.33 -18.43 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.607 ' HD1' HG13 ' A' ' 31' ' ' VAL . 27.0 m-85 -108.92 168.24 9.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.8 t -115.22 158.98 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.42 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -104.37 -46.7 1.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.411 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.9 t-160 -44.1 -60.88 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.3 p -107.27 -47.48 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 33' ' ' CYS . . . 117.63 28.27 2.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -63.28 155.49 28.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.607 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 6.2 ttpt -103.97 15.91 27.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 40' ' ' THR . 12.6 t -144.74 129.9 18.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.9 mt -126.24 134.02 51.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.14 132.54 42.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -78.88 133.92 36.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.521 HG13 HG13 ' A' ' 15' ' ' ILE . 3.6 p -139.9 140.76 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.453 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 95.0 p -82.45 160.78 22.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 13' ' ' SER . 22.7 m -148.51 144.14 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.1 m -103.07 148.43 25.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.19 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.5 mm -112.45 142.54 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -121.23 153.33 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -42.1 -44.61 3.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -66.74 -44.15 82.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.53 67.15 0.51 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.9 p -127.8 160.93 30.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 111.182 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 66.4 mt -113.82 129.5 56.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -127.1 124.23 38.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -121.85 105.92 10.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -65.26 108.94 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -103.02 160.4 14.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.4 m -81.31 121.75 26.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -39.21 145.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -115.88 153.69 48.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 95.11 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.656 2.238 . . . . 0.0 112.392 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -110.19 84.57 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.7 m -56.04 174.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.612 HD21 ' NH2' ' A' ' 68' ' ' ARG . 27.6 tp -142.56 154.5 44.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.409 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 1.2 p-10 -107.32 157.66 35.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.587 0.708 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 148.08 64.5 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.397 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.612 ' NH2' HD21 ' A' ' 65' ' ' LEU . 4.1 mpt_? -94.52 170.19 9.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.37 -161.08 10.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.449 ' C ' HD12 ' A' ' 70' ' ' LEU . 4.6 pp -145.85 160.59 41.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -115.49 154.25 29.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -134.21 177.14 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 t -144.27 175.88 9.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.9 m -147.72 178.07 8.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.823 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.09 -165.14 13.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -175.23 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.728 2.285 . . . . 0.0 112.317 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 p -122.3 -53.98 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 93.8 p -174.71 179.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -104.39 121.28 43.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -81.97 -58.75 2.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.03 81.38 1.54 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -101.72 -50.11 3.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -112.51 117.06 31.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.78 74.37 0.35 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.554 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.0 t -101.11 140.51 19.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.814 0.34 . . . . 0.0 111.127 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -94.06 -53.51 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.43 ' CG ' ' HE ' ' A' ' 12' ' ' ARG . 6.2 tp10 -81.4 97.79 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.98 109.0 7.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.43 ' HE ' ' CG ' ' A' ' 10' ' ' GLU . 19.9 mmt180 -119.5 80.27 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.6 m -87.78 108.96 19.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 6.0 m-85 -104.63 154.16 20.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.951 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.412 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.5 pp -140.7 159.13 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.8 mt -100.48 113.61 26.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 18' ' ' CYS . 48.9 ttt180 -107.62 95.0 5.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 17' ' ' ARG . 8.3 t -43.01 166.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -115.93 -52.78 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.98 -18.62 1.17 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.597 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 28.3 p -133.4 -22.75 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 70.87 40.38 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.4 tptt -112.56 143.61 43.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.8 p -100.05 146.72 26.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 25' ' ' THR . 7.4 t -139.95 125.59 19.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.7 p -63.44 89.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CG ' ' HG3' ' A' ' 30' ' ' ARG . 3.4 t70 -175.6 147.87 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.9 mmt -125.83 9.73 7.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -134.96 32.47 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.866 ' O ' HD12 ' A' ' 41' ' ' LEU . 27.0 mtt180 -109.11 114.28 27.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.689 HG13 ' HD1' ' A' ' 32' ' ' PHE . 8.3 p -87.94 -9.79 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.689 ' HD1' HG13 ' A' ' 31' ' ' VAL . 5.5 m-85 -122.63 167.68 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.9 t -118.64 159.58 23.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -106.72 -47.52 1.03 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.538 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.597 ' CE1' ' HB2' ' A' ' 21' ' ' CYS . 4.4 t-80 -42.84 -56.19 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.7 p -111.68 -47.02 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.72 25.95 2.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -68.39 155.34 40.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.597 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 14.4 tttm -106.27 20.59 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 40' ' ' THR . 11.5 t -145.3 125.35 13.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.866 HD12 ' O ' ' A' ' 30' ' ' ARG . 80.4 mt -121.56 142.95 49.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -106.25 116.31 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -68.84 133.29 48.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 p -140.88 141.73 31.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 85.1 p -83.44 153.08 24.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.443 HG12 ' HG3' ' A' ' 56' ' ' MET . 23.0 m -144.06 137.51 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 50.4 m -91.26 145.8 24.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.3 mm -104.48 95.14 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -71.73 154.9 41.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -40.9 -59.46 1.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -59.63 -43.54 93.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.33 78.12 0.74 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.3 p -137.02 157.12 47.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.144 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.7 mt -95.6 120.33 35.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -112.44 98.42 7.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.443 ' HG3' HG12 ' A' ' 46' ' ' VAL . 25.6 mtm -117.79 102.69 9.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -72.64 101.25 2.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -93.64 42.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 m -83.42 39.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -112.99 43.21 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -106.41 152.15 40.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.644 0.735 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.708 2.272 . . . . 0.0 112.327 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -100.32 -58.57 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.6 m -75.63 156.39 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.4 mt -114.3 149.98 35.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -62.57 149.86 87.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.589 0.709 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.89 8.57 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.286 . . . . 0.0 112.318 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -63.48 129.21 39.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.52 -124.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.647 ' H ' HD23 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -100.51 177.18 5.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.905 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -110.39 161.65 15.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -48.84 133.15 17.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.0 m -85.94 -61.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.6 t -173.95 167.86 4.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 76' ' ' PRO . . . -145.3 102.94 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.405 ' HD2' ' HA2' ' A' ' 75' ' ' GLY . 53.5 Cg_endo -69.79 161.4 46.08 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.644 2.229 . . . . 0.0 112.344 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.7 p -125.11 121.35 34.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.1 m -77.29 -60.56 2.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.2 p -171.86 135.27 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -125.67 142.82 51.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.55 116.69 5.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.455 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -79.96 45.09 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.919 0.39 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -69.48 -55.38 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.94 -136.99 4.56 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.8 p -114.6 140.55 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 111.109 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -162.98 144.71 10.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -90.2 126.79 35.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -108.09 121.52 44.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -136.26 153.09 51.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 m -105.36 113.44 27.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.586 ' CD2' ' HE2' ' A' ' 43' ' ' LYS . 10.0 m-85 -109.05 172.0 7.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.464 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.4 pp -158.32 159.67 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.605 HD13 ' CD1' ' A' ' 41' ' ' LEU . 77.9 mt -99.5 115.99 30.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.431 ' HG3' HG22 ' A' ' 24' ' ' THR . 10.7 ttp180 -104.83 94.24 5.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' LYS . 5.6 t -45.67 169.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -117.64 -52.52 2.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.2 -19.23 15.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 20.4 p -134.7 -0.69 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 2.1 p90 47.83 34.44 3.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 18' ' ' CYS . 40.7 tptt -99.51 155.0 17.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.431 HG22 ' HG3' ' A' ' 17' ' ' ARG . 69.3 p -114.82 145.58 41.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 t -140.06 134.27 31.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.195 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 86.1 p -73.39 90.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 26' ' ' SER . 8.1 m-20 -175.13 146.59 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.2 mmt -124.08 21.07 8.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -134.86 -36.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -45.22 121.93 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 p -97.52 -10.53 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.609 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 6.0 m-85 -126.37 132.02 51.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.54 ' HB2' HD21 ' A' ' 41' ' ' LEU . 13.3 t -78.75 159.48 27.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.36 -42.5 2.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 21' ' ' CYS . 3.2 t-80 -48.68 -58.68 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.832 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.5 p -108.95 -48.52 3.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 33' ' ' CYS . . . 120.87 25.44 2.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -72.94 129.95 39.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.609 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -81.11 -2.26 47.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 40' ' ' THR . 5.8 t -117.66 119.71 35.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.605 ' CD1' HD13 ' A' ' 16' ' ' LEU . 41.7 mt -120.96 136.69 54.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.967 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -95.25 119.58 34.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.586 ' HE2' ' CD2' ' A' ' 14' ' ' TYR . 62.3 tttt -70.44 133.5 46.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 p -141.56 138.81 32.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.567 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 23.5 p -85.37 153.19 22.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 55' ' ' HIS . 29.5 m -145.33 156.19 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 84.8 m -116.56 144.21 44.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.6 mm -104.93 97.71 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -71.17 154.71 41.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -44.62 -50.87 9.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.94 -47.3 71.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.41 42.45 0.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.8 p -109.35 153.16 24.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.155 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.1 mt -96.57 154.64 17.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.536 ' O ' HG12 ' A' ' 46' ' ' VAL . 79.8 m-70 -133.52 118.79 18.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.8 mtt -127.19 124.98 40.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -66.08 140.01 58.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -151.1 134.58 16.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.5 t -49.48 153.05 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.9 ttt-85 -58.94 122.97 14.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.806 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -125.74 159.37 61.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.626 0.727 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.449 ' HB2' HG13 ' A' ' 64' ' ' VAL . 54.0 Cg_endo -69.7 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.724 2.283 . . . . 0.0 112.353 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.86 25.03 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.449 HG13 ' HB2' ' A' ' 62' ' ' PRO . 22.2 m -40.9 132.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 66' ' ' ASN . 19.8 tp -149.57 152.87 36.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.413 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 29.6 t30 -92.89 112.18 54.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.595 0.712 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 158.13 58.01 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.64 119.04 33.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.51 -76.19 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.433 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.1 tp -119.77 127.77 53.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -69.43 164.24 23.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -86.77 169.0 13.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.3 m -132.52 177.58 7.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -103.89 167.73 9.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 158.96 93.95 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.429 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 143.08 49.23 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.659 2.239 . . . . 0.0 112.288 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.9 m -159.54 130.88 6.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 t -153.35 177.3 11.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -54.16 135.02 44.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.899 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -103.83 -55.89 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.86 -137.67 7.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.53 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -118.67 139.66 51.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.822 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 p -57.45 118.43 5.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.72 56.26 0.71 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' ARG . 75.6 t -106.31 143.35 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.818 0.342 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 8' ' ' VAL . 3.4 tpp85 -33.7 132.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.95 138.62 39.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.81 130.81 35.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.061 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -97.94 147.33 24.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.1 m -122.75 109.02 13.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 5.3 m-85 -118.06 156.71 28.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.907 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.631 HD13 ' HB ' ' A' ' 24' ' ' THR . 2.1 pp -141.33 163.32 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.456 HD13 HD13 ' A' ' 41' ' ' LEU . 69.3 mt -100.06 114.44 27.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -95.83 111.44 23.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.73 175.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.473 ' NE2' ' HG2' ' A' ' 42' ' ' LYS . 2.5 m80 -116.7 -71.42 0.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' HIS . . . -38.09 -38.08 0.52 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.431 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 28.3 p -110.91 -30.2 7.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 73.89 35.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 2.6 tptp -97.18 178.53 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.631 ' HB ' HD13 ' A' ' 15' ' ' ILE . 46.5 p -131.43 133.03 44.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 25' ' ' THR . 13.0 t -125.74 126.9 45.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.145 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.3 p -67.1 92.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.472 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 5.9 t0 -175.4 137.77 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.6 mmt -117.07 20.66 13.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -134.96 -36.17 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 39.2 mtt180 -48.36 157.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.595 HG13 ' CD2' ' A' ' 32' ' ' PHE . 7.6 p -126.13 -19.52 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.595 ' CD2' HG13 ' A' ' 31' ' ' VAL . 78.1 m-85 -109.76 158.44 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.3 t -100.27 156.67 17.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.94 -48.82 3.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -55.03 -64.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 19.6 p -106.07 -47.74 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.439 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 98.32 91.48 1.96 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 27.6 t-20 -121.65 145.54 47.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.875 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 20.5 mtpt -83.48 3.57 31.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 40' ' ' THR . 2.6 t -130.56 117.88 20.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.456 HD13 HD13 ' A' ' 16' ' ' LEU . 82.7 mt -123.28 131.53 53.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.473 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -94.08 125.29 38.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.789 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -76.78 132.38 39.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.9 p -141.16 146.96 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 23.4 p -90.63 144.07 26.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 55' ' ' HIS . 20.1 m -137.94 134.62 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.496 HG22 ' HB2' ' A' ' 55' ' ' HIS . 8.8 t -88.47 154.46 20.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.2 mm -90.08 118.37 35.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -95.44 155.2 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -48.07 -43.63 30.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.619 ' O ' HG23 ' A' ' 53' ' ' THR . 1.7 p30 -91.47 37.22 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' ASP . . . 33.88 76.41 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 51' ' ' ASP . 59.0 p -136.57 138.34 41.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 111.125 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.54 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 86.9 mt -57.45 175.4 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 54' ' ' LEU . 68.3 m-70 -166.82 126.0 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -134.2 150.48 51.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -88.92 129.0 35.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -150.53 157.08 42.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.7 t -112.09 130.61 55.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -80.52 104.75 11.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -102.12 152.58 38.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.743 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 107.21 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.654 2.236 . . . . 0.0 112.39 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -85.12 101.15 12.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.8 m -101.2 160.54 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.5 mt -145.28 166.01 26.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -38.05 141.65 0.5 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 158.83 55.63 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.367 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -38.88 147.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -125.27 -60.59 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -43.94 131.78 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.96 175.4 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -100.9 170.79 8.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -115.21 156.38 25.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 61.6 m -118.72 164.9 14.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.44 145.0 17.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 177.53 5.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.719 2.28 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -135.46 166.74 22.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 t -140.58 177.29 8.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.828 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.508 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 3' ' ' SER . 19.9 m -105.49 102.48 11.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.899 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 2' ' ' SER . 32.6 p -36.85 -43.67 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.89 76.14 0.38 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 m -48.77 119.82 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.829 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 m -149.1 151.11 33.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.75 63.32 2.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.1 t -116.45 129.55 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 111.098 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.401 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -86.35 164.82 16.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -78.59 149.78 32.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.75 103.62 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -101.83 135.01 44.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.9 m -90.64 109.13 20.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 45' ' ' SER . 14.5 m-85 -107.77 155.78 19.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.509 HG13 HG13 ' A' ' 44' ' ' VAL . 1.8 pt -142.69 165.32 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.9 mt -102.83 114.29 28.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.638 ' HG3' HG22 ' A' ' 24' ' ' THR . 2.1 ttt-85 -97.41 114.35 26.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 t -69.75 165.93 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -118.91 -52.72 2.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.97 -19.78 1.1 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.631 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 22.8 p -134.95 -26.43 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 75.04 42.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.4 tppp? -111.97 142.26 44.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.638 HG22 ' HG3' ' A' ' 17' ' ' ARG . 44.8 p -102.09 136.83 41.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 25' ' ' THR . 12.4 t -133.03 126.12 31.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -66.87 90.13 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.456 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 6.3 t0 -175.46 135.99 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mmm -115.3 21.85 13.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -134.45 -35.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.456 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 70.0 mtt-85 -46.61 123.13 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.786 HG13 ' CD2' ' A' ' 32' ' ' PHE . 9.9 p -90.24 -17.92 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.786 ' CD2' HG13 ' A' ' 31' ' ' VAL . 89.8 m-85 -117.09 157.66 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 14.4 t -95.7 159.2 15.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.417 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -93.29 -43.68 3.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.461 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.631 ' CE1' ' HB2' ' A' ' 21' ' ' CYS . 3.1 t-80 -59.0 -61.96 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 25.3 p -107.52 -48.62 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 99.38 83.83 1.75 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -117.53 152.84 34.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.427 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 26.5 mtpt -89.99 12.81 16.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 40' ' ' THR . 3.0 t -138.87 115.95 10.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.192 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.4 mt -124.59 139.76 53.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.8 132.57 45.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -77.18 138.19 39.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.509 HG13 HG13 ' A' ' 15' ' ' ILE . 2.7 p -143.19 140.4 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.576 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 83.0 p -86.59 146.01 26.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.594 HG12 ' HG3' ' A' ' 56' ' ' MET . 20.5 m -142.93 134.85 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.1 m -90.6 151.37 21.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.8 mm -116.11 135.59 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -106.51 155.28 19.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.55 -50.5 4.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.47 -44.51 96.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.26 72.35 0.42 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.2 p -127.01 161.75 27.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 111.102 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.2 mt -114.1 139.92 48.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -129.72 106.12 8.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.594 ' HG3' HG12 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -102.44 105.71 16.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -80.02 137.77 36.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -158.75 178.53 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.7 t -103.66 115.85 31.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -83.52 141.96 31.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -77.17 144.85 72.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.642 0.734 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -174.63 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.671 2.248 . . . . 0.0 112.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.48 81.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.2 m -51.12 167.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.6 tp -122.03 81.4 1.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -59.78 153.29 53.83 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 125.57 12.32 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.694 2.263 . . . . 0.0 112.359 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 -40.74 -52.02 3.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 139.94 -52.67 0.7 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.8 102.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -84.35 156.24 21.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -80.6 157.47 26.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.4 p -58.71 174.42 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.8 t -106.82 161.09 14.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -141.71 154.01 24.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -179.95 3.26 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.6 p -115.05 174.8 5.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.901 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.5 m -102.07 175.0 5.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 m -127.46 118.96 25.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.842 0.353 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 4' ' ' GLY . 2.9 m -170.84 149.9 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -36.44 142.41 0.17 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 m -117.15 44.71 2.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.857 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -78.53 96.68 5.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.26 46.85 28.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.9 m -93.99 137.69 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.55 124.02 30.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -82.72 138.1 34.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.7 126.13 30.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.2 mmt-85 -90.12 106.4 18.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.3 m -85.89 112.29 21.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.459 ' CZ ' ' OG ' ' A' ' 45' ' ' SER . 3.9 m-85 -109.48 156.54 19.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.422 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.6 pp -139.19 158.89 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -99.4 113.13 25.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' HG3' HG22 ' A' ' 24' ' ' THR . 37.5 ttt180 -102.13 110.64 22.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.94 177.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 21' ' ' CYS . 65.3 t-80 -117.93 -70.79 0.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.91 -24.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.586 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 29.3 p -127.94 -4.95 5.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.586 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 48.3 p90 47.29 38.53 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.553 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 1.8 mmmp? -95.44 179.81 5.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.503 HG22 ' HG3' ' A' ' 17' ' ' ARG . 62.6 p -136.08 149.28 48.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 25' ' ' THR . 14.9 t -147.03 115.07 6.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.458 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 2.8 m -62.51 91.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.501 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.2 m-20 -176.05 110.1 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.3 mmt -91.22 29.67 1.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -135.01 -37.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.501 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 39.9 mtt-85 -59.59 144.75 46.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 p -116.79 -15.93 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.626 ' CE1' ' HG3' ' A' ' 39' ' ' LYS . 24.1 m-85 -102.87 172.33 6.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.8 t -117.22 153.9 32.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.13 -45.34 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.553 ' CG ' ' HG3' ' A' ' 23' ' ' LYS . 37.8 t-80 -48.66 -70.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 19.2 p -93.09 -47.3 7.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 116.07 25.83 3.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.542 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -64.05 156.07 29.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.626 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 5.0 ttpt -104.02 10.06 36.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 40' ' ' THR . 5.8 t -138.04 127.42 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.1 mt -119.82 146.43 45.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -105.45 117.64 34.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -70.07 137.2 51.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.3 p -142.2 152.44 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.459 ' OG ' ' CZ ' ' A' ' 14' ' ' TYR . 1.4 m -90.63 133.36 35.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.2 m -136.1 121.83 29.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.1 m -85.7 147.17 26.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.4 mm -108.12 109.16 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.074 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' ASP . 6.9 t-20 -84.62 154.45 22.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' ASN . 10.1 m-20 -38.09 -60.0 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -48.07 -49.73 30.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.47 49.4 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.525 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.6 p -114.19 155.2 26.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 111.125 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 35.4 mt -102.03 144.7 30.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -125.54 104.09 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.7 mmt -89.01 144.1 26.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -71.07 123.5 22.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -56.29 131.64 48.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -126.39 111.26 14.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.6 mtt85 -62.69 83.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -125.28 135.96 27.57 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.613 0.72 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 7.19 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -104.98 -52.12 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.9 m -56.73 152.34 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.418 ' C ' HD12 ' A' ' 65' ' ' LEU . 3.5 pp -126.85 149.19 49.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -151.72 147.95 21.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.637 0.732 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 162.02 43.69 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 69' ' ' GLY . 0.2 OUTLIER -68.7 -32.37 72.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.474 ' N ' ' HD2' ' A' ' 68' ' ' ARG . . . 156.07 146.2 4.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.503 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.5 tp -155.52 122.67 5.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -57.03 149.13 19.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -123.17 -48.96 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 t -44.83 101.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 m -160.41 148.75 16.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.13 77.85 1.05 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 158.33 57.3 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.392 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -77.04 -46.68 22.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.1 p -44.34 129.8 6.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p -51.03 -47.42 61.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.912 0.387 . . . . 0.0 110.859 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 t -71.76 119.63 16.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.23 125.47 0.76 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 m 54.39 42.25 31.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 110.899 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 t -98.2 105.92 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -36.86 -90.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.516 ' O ' HG13 ' A' ' 8' ' ' VAL . 12.5 p -84.14 118.4 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 111.156 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -56.8 -57.82 10.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -95.42 106.32 18.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.21 140.7 34.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 mtm105 -98.73 154.64 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.3 p -120.91 109.67 15.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.851 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 45' ' ' SER . 6.6 m-85 -125.39 152.76 44.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.481 ' CD1' ' HG3' ' A' ' 17' ' ' ARG . 2.3 pp -138.08 160.4 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 43' ' ' LYS . 40.0 mt -102.43 115.76 31.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.66 ' HD3' HG11 ' A' ' 44' ' ' VAL . 19.2 mtp180 -99.34 98.49 9.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.1 t -46.07 170.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.562 ' NE2' ' CG2' ' A' ' 40' ' ' THR . 31.7 p80 -118.93 -50.81 2.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.483 ' N ' ' CG ' ' A' ' 19' ' ' HIS . . . -53.94 -20.67 14.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.623 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 28.5 p -133.52 -17.82 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 7.8 m-85 65.26 36.2 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -100.6 167.87 10.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.449 HG22 ' CG ' ' A' ' 17' ' ' ARG . 17.0 p -119.09 142.01 48.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.512 ' O ' HG23 ' A' ' 25' ' ' THR . 8.2 t -137.04 122.97 20.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.4 p -64.29 89.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -175.03 154.35 1.8 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.7 mmt -131.01 8.74 4.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -132.66 32.56 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.482 ' O ' HD12 ' A' ' 41' ' ' LEU . 33.7 mtt-85 -97.91 141.45 30.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.4 p -119.59 -5.65 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.583 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 3.7 m-85 -145.09 132.99 21.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 10.9 t -87.62 158.79 18.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.416 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.67 -43.95 1.74 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.623 ' CE1' ' HB2' ' A' ' 21' ' ' CYS . 15.3 t-80 -43.42 -62.03 1.19 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.96 -48.52 3.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.39 68.57 0.61 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.413 ' OD1' ' CE1' ' A' ' 19' ' ' HIS . 1.8 m-80 -121.21 153.92 36.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.583 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 5.4 ttmt -99.73 9.92 42.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 40' ' ' THR . 6.0 t -125.24 113.27 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.545 HD13 HD13 ' A' ' 16' ' ' LEU . 96.4 mt -110.95 149.04 31.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.452 ' HD3' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -112.65 114.05 26.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.596 ' HA ' HD23 ' A' ' 16' ' ' LEU . 23.8 tttt -73.93 136.4 43.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.66 HG11 ' HD3' ' A' ' 17' ' ' ARG . 3.9 p -142.31 150.37 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.126 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 85.7 p -92.11 153.78 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.521 HG12 ' HG3' ' A' ' 56' ' ' MET . 14.3 m -137.94 128.78 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.7 m -87.56 153.61 21.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.3 mp -91.18 128.94 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 50' ' ' ASP . 28.6 t-20 -105.53 155.47 19.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 49' ' ' ASN . 76.5 m-20 -34.07 -63.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -64.68 -40.35 95.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.79 28.5 3.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.45 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 54' ' ' LEU . 2.6 m -79.46 164.59 23.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 111.156 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.422 ' N ' HG22 ' A' ' 53' ' ' THR . 25.6 mt -76.46 125.07 28.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -133.83 113.72 12.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.521 ' HG3' HG12 ' A' ' 46' ' ' VAL . 2.7 mpt? -102.72 117.55 34.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -80.29 112.55 17.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -140.17 138.21 34.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.1 m -72.01 150.48 43.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -138.52 165.5 26.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -77.99 153.65 80.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 4.63 2.08 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.617 2.211 . . . . 0.0 112.349 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -84.24 76.68 10.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.3 m -102.93 150.04 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tp -130.59 144.3 51.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' CG ' ' HD2' ' A' ' 67' ' ' PRO . 7.6 t30 -148.19 141.42 15.46 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.77 167.47 24.36 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.313 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -111.0 155.17 23.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 144.33 102.83 0.4 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.464 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.9 mt -145.8 166.22 26.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 72' ' ' TYR . 10.7 ttm180 -168.1 171.02 9.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.509 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 37.8 m-85 -166.34 171.65 11.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 t -173.79 176.25 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.6 p -166.34 174.83 8.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -172.61 130.05 1.83 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 118.68 5.82 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.246 . . . . 0.0 112.358 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.2 p -59.06 -62.58 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t 69.58 42.98 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.498 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -133.23 167.65 19.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 110.876 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -123.24 111.09 16.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.73 131.0 9.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -128.74 93.94 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.8 p -94.39 94.28 8.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.97 46.05 14.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.2 t -70.78 145.75 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.401 ' HD3' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -55.86 146.57 21.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 3.3 tm-20 -89.12 104.98 17.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.29 143.26 30.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.3 mtm-85 -121.56 178.72 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.5 m -134.66 111.92 10.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -115.01 156.43 25.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.433 ' CD1' ' CG1' ' A' ' 44' ' ' VAL . 2.5 pp -140.28 164.78 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.761 HD13 HD13 ' A' ' 41' ' ' LEU . 96.3 mt -100.49 113.94 27.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.524 ' HB2' HG11 ' A' ' 44' ' ' VAL . 18.2 ttp180 -101.25 94.94 6.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 t -49.05 168.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -116.3 -53.41 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.34 -19.93 2.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.52 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.591 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 28.2 p -131.86 -16.96 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 28.2 m-85 63.94 31.57 13.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -101.01 167.81 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.7 p -122.71 144.87 48.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 25' ' ' THR . 15.1 t -138.82 120.98 15.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.5 p -65.34 88.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -176.9 112.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 74.4 mmm -94.52 26.46 3.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -133.03 -35.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -54.5 123.39 12.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.457 HG13 ' CD2' ' A' ' 32' ' ' PHE . 11.1 p -97.01 -12.73 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.65 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 20.5 m-85 -117.9 157.41 26.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.0 t -114.2 153.82 28.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.38 -38.52 2.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.591 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 3.2 t-160 -46.48 -54.6 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 110.829 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.7 p -116.16 -48.08 2.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.34 72.22 0.72 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -124.63 155.44 39.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.65 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 1.4 ttpt -99.33 5.28 46.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 40' ' ' THR . 5.1 t -123.19 116.62 23.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.761 HD13 HD13 ' A' ' 16' ' ' LEU . 81.2 mt -117.6 138.24 52.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -98.71 122.84 42.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -74.87 136.43 41.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.524 HG11 ' HB2' ' A' ' 17' ' ' ARG . 3.6 p -142.29 148.61 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -82.61 161.62 22.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.6 m -154.73 118.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.2 m -107.5 143.06 36.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.493 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.5 mp -94.74 111.38 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -77.21 152.41 34.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -43.79 -49.32 8.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.83 -43.62 98.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.43 68.16 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.7 p -138.83 162.61 34.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.847 0.356 . . . . 0.0 111.137 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.2 mp -98.23 159.39 14.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -135.56 115.87 13.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 41.5 mtt -130.93 113.23 13.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -61.56 121.06 11.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -66.72 155.24 38.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.9 p -120.19 170.16 9.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -72.91 97.96 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -99.35 142.74 25.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.654 0.74 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 119.88 6.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.67 2.246 . . . . 0.0 112.355 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -122.99 88.54 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.3 m -123.14 166.49 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.171 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.3 mt -122.74 139.81 53.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -83.49 157.13 65.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.546 0.688 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 150.85 68.72 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 -113.53 167.38 10.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -170.25 154.19 22.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.827 HD22 ' C ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -95.74 156.88 16.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.813 0.339 . . . . 0.0 110.939 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.449 ' N ' HD22 ' A' ' 70' ' ' LEU . 13.9 ptt180 -126.44 178.0 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 56.23 40.59 29.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.9 p -54.58 146.93 15.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.0 t -40.06 140.69 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.49 166.63 30.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -178.29 2.28 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.701 2.267 . . . . 0.0 112.326 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.0 m -100.91 167.5 10.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.5 t -69.65 -48.67 59.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.822 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -134.21 104.68 6.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.864 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.7 p -127.38 127.08 43.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.59 129.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 m -117.52 94.99 4.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.848 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -45.87 154.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.23 102.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.2 p -124.8 129.45 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 111.158 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -38.62 150.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -73.14 155.24 39.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.39 96.1 7.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.4 mtm-85 -95.19 118.98 32.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.2 m -95.22 111.47 23.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 5.2 m-85 -119.68 153.26 35.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.406 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.4 pp -140.11 162.86 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.4 mt -99.18 112.13 24.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.472 ' HG3' HG22 ' A' ' 24' ' ' THR . 44.5 ttt85 -96.71 116.78 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.5 t -69.67 163.53 25.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -115.85 -51.64 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.806 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -43.66 -26.53 0.73 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 30.2 p -129.43 -16.47 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.912 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 7.5 m-85 65.72 54.84 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.602 ' HD2' ' CD2' ' A' ' 35' ' ' HIS . 5.8 mtpm? -124.78 179.55 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.472 HG22 ' HG3' ' A' ' 17' ' ' ARG . 45.4 p -129.71 147.84 51.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.175 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.2 t -142.82 136.33 28.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 37.3 p -78.04 89.17 4.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 26' ' ' SER . 3.7 m-20 -175.78 120.84 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 14' ' ' TYR . 74.3 mmm -101.39 23.19 11.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -134.93 -35.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.0 mtt-85 -44.34 139.55 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.771 HG13 ' HD1' ' A' ' 32' ' ' PHE . 4.3 p -112.05 -15.18 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.771 ' HD1' HG13 ' A' ' 31' ' ' VAL . 5.7 m-85 -123.81 127.06 47.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.2 t -62.25 155.35 24.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.74 -42.1 3.95 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.602 ' CD2' ' HD2' ' A' ' 23' ' ' LYS . 49.3 t-80 -58.4 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 27.3 p -104.65 -48.84 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.412 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 106.54 90.96 2.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -125.97 149.16 48.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.876 0.369 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.694 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 27.1 mtpt -91.35 6.61 44.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 40' ' ' THR . 5.0 t -135.17 113.95 11.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -119.46 135.4 54.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.85 123.07 36.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -73.43 136.42 44.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.8 p -143.1 146.08 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 96.4 p -83.18 154.04 24.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.4 m -152.97 133.21 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.3 m -88.88 142.39 27.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.4 mm -105.82 100.26 10.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -68.17 151.86 46.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -40.75 -46.78 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -63.88 -45.25 90.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.61 57.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.7 p -125.48 163.22 23.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mp -109.57 156.21 20.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -144.92 106.31 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.1 mtt -103.19 131.85 49.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -102.03 96.06 6.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -103.14 132.74 49.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.3 t -49.95 105.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -82.33 107.01 14.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -78.92 153.98 77.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.657 0.741 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 105.58 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.691 2.26 . . . . 0.0 112.367 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -133.93 108.15 8.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 64' ' ' VAL . 11.1 p -168.68 127.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.1 tp -92.01 107.21 19.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.23 147.89 85.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 157.21 61.15 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -96.01 41.97 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -91.77 66.03 2.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.7 tp -81.77 103.81 11.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.0 ttm-85 -149.32 127.83 12.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -165.37 173.57 10.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 m -163.3 153.78 16.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.4 m -140.86 173.93 11.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.34 83.64 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -175.12 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.4 t -130.66 174.68 9.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -89.5 -57.51 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.505 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.6 t -133.4 139.44 46.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 p -142.95 153.42 43.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.42 74.56 1.27 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 m -129.54 129.22 44.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -72.74 108.58 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.27 129.87 1.09 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 8' ' ' VAL . 16.6 m -98.9 109.41 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 111.137 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.476 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -128.42 89.04 2.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -72.41 141.56 48.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.87 123.35 38.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -82.0 89.34 6.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.482 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 14.5 m -74.94 110.84 9.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.577 ' CZ ' ' CB ' ' A' ' 45' ' ' SER . 4.7 m-85 -108.63 164.56 12.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.587 HG13 HG13 ' A' ' 44' ' ' VAL . 4.9 pt -140.64 169.87 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.67 HD13 ' CD1' ' A' ' 41' ' ' LEU . 91.9 mt -108.56 115.52 30.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.755 ' HD3' HG11 ' A' ' 44' ' ' VAL . 11.7 mtp-105 -97.79 106.43 18.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 t -61.74 165.67 4.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -116.16 -53.51 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.87 -18.33 1.06 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.434 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.522 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 32.1 p -133.53 -20.73 2.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 68.84 32.78 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -99.43 166.25 11.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.675 HG22 ' HG2' ' A' ' 17' ' ' ARG . 70.3 p -121.97 136.18 54.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.171 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.467 ' O ' HG23 ' A' ' 25' ' ' THR . 12.8 t -130.7 125.45 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.181 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.4 t -68.23 89.12 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.2 t0 -176.27 129.46 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.458 ' HE3' ' HB3' ' A' ' 14' ' ' TYR . 8.8 mmt -108.48 22.43 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -132.74 -37.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 15.8 mtt-85 -46.49 125.79 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.706 HG13 ' CD1' ' A' ' 32' ' ' PHE . 10.5 p -94.01 -16.36 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.706 ' CD1' HG13 ' A' ' 31' ' ' VAL . 33.6 m-85 -114.16 177.82 4.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.1 t -123.14 158.12 31.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.822 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -102.16 -42.81 2.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.522 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 2.8 t-160 -48.44 -61.83 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.403 ' SG ' ' OD1' ' A' ' 38' ' ' ASN . 29.4 p -107.11 -48.35 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 33' ' ' CYS . . . 116.14 31.67 1.83 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.528 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.403 ' OD1' ' SG ' ' A' ' 36' ' ' CYS . 6.4 m120 -70.72 155.16 41.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.597 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 4.7 ttpt -100.38 -0.91 37.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 40' ' ' THR . 6.5 t -123.77 120.17 31.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.67 ' CD1' HD13 ' A' ' 16' ' ' LEU . 43.5 mt -116.21 141.77 47.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.74 128.88 47.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.503 ' HE2' ' CD2' ' A' ' 14' ' ' TYR . 21.6 tttm -76.98 138.07 39.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.755 HG11 ' HD3' ' A' ' 17' ' ' ARG . 2.2 p -138.79 146.53 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.577 ' CB ' ' CZ ' ' A' ' 14' ' ' TYR . 74.8 p -93.91 140.83 29.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 13' ' ' SER . 6.9 m -135.92 150.95 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.0 m -107.8 149.38 28.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.6 mm -108.6 105.11 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.171 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -75.7 155.36 35.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.97 -35.85 5.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 27.7 t70 -84.81 33.76 0.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 39.58 77.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 51' ' ' ASP . 40.1 p -138.33 160.83 38.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 111.14 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.5 mp -111.39 135.42 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -128.54 108.41 10.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -87.2 128.33 35.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -74.41 105.92 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -42.46 -58.36 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 48.93 33.43 4.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -147.39 117.18 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -93.07 135.42 25.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.618 0.723 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.54 18.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.738 2.292 . . . . 0.0 112.327 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -80.05 -48.64 12.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.0 m -92.7 161.34 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 tt -121.08 93.96 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -124.3 154.62 68.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 174.81 9.0 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.47 ' HD2' ' N ' ' A' ' 68' ' ' ARG . 8.0 mpt_? -114.33 108.5 17.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 46.83 -146.65 3.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.4 mt -147.57 165.5 30.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.335 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.448 ' HD3' ' N ' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -91.66 124.5 35.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.448 ' N ' ' HD3' ' A' ' 71' ' ' ARG . 9.9 p90 -114.05 128.01 56.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.6 t -138.65 163.84 31.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -167.95 135.12 2.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.34 128.62 1.34 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 158.31 57.36 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.5 m -97.32 153.17 18.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.4 p -169.59 173.1 6.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -77.12 -59.73 2.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 0.0 110.808 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 m -118.7 -55.41 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.35 43.07 0.79 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 t -112.2 41.89 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 0.0 110.872 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -90.94 133.63 35.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.14 61.1 1.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.6 p -120.11 137.59 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.343 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -90.0 166.99 13.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 1.3 pm0 -88.37 122.94 32.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.64 144.6 25.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.49 ' HB3' ' CE1' ' A' ' 14' ' ' TYR . 1.8 mmp_? -77.04 89.55 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.815 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -66.62 105.78 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.584 ' HB3' ' HE3' ' A' ' 28' ' ' MET . 5.4 m-85 -122.08 152.87 39.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.444 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.5 pp -132.63 170.73 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.426 ' CD1' ' O ' ' A' ' 30' ' ' ARG . 85.4 mt -106.41 113.97 27.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HG3' HG22 ' A' ' 24' ' ' THR . 14.6 ttt85 -101.22 124.45 46.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.7 t -77.63 174.63 10.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -118.72 -68.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.44 -34.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.419 ' HB2' ' ND1' ' A' ' 35' ' ' HIS . 30.6 p -115.01 -31.7 5.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.896 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 t80 74.96 43.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.623 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 1.8 mptp? -114.37 153.25 30.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.485 HG22 ' HG3' ' A' ' 17' ' ' ARG . 71.1 p -109.55 141.61 41.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.471 ' O ' HG23 ' A' ' 25' ' ' THR . 13.2 t -133.71 125.96 29.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.457 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 79.7 p -61.52 90.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.457 ' CG ' ' O ' ' A' ' 26' ' ' SER . 5.2 m-20 -175.05 109.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.584 ' HE3' ' HB3' ' A' ' 14' ' ' TYR . 4.8 mmt -93.25 21.59 5.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -135.03 -35.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.426 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 56.6 mtt180 -55.67 139.06 46.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.547 HG13 ' CD1' ' A' ' 32' ' ' PHE . 7.2 p -107.27 -16.87 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.609 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 38.6 m-85 -102.23 169.17 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 11.7 t -112.8 160.18 18.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -102.88 -47.5 1.35 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.623 ' CD2' ' HG2' ' A' ' 23' ' ' LYS . 27.9 t-80 -47.69 -68.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.828 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 23.0 p -96.63 -47.42 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 115.26 26.67 3.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -61.88 155.58 23.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.404 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.609 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -102.35 13.97 33.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 40' ' ' THR . 8.2 t -141.15 129.13 21.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.215 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.433 ' C ' ' HE2' ' A' ' 42' ' ' LYS . 89.8 mt -126.0 135.86 52.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.433 ' HE2' ' C ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -93.81 121.91 35.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.429 ' HE3' ' CD2' ' A' ' 14' ' ' TYR . 15.8 ttpt -69.47 131.97 45.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.5 p -141.45 147.29 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 87.4 p -86.19 160.62 19.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 45' ' ' SER . 35.6 m -158.06 129.14 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -98.81 157.16 16.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.3 mp -106.44 94.1 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' ASP . 5.6 t-20 -78.93 153.71 30.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 50' ' ' ASP . 20.8 t0 -37.44 -59.27 0.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.85 -44.05 97.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.92 65.46 0.38 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.453 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.1 p -116.21 157.3 25.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 111.168 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.0 mt -109.42 95.68 5.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -76.53 111.08 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 48.3 mtt -116.87 152.09 35.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -104.23 135.49 45.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -125.16 37.72 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 p -93.88 -33.34 13.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.825 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -54.98 -53.86 50.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.811 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -91.74 145.39 31.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.616 0.722 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 176.06 7.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.359 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -112.32 -51.37 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.8 m -103.04 165.59 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.4 tp -118.55 -58.98 1.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -141.22 161.62 52.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 154.26 67.72 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 69.7 mmt-85 -99.75 149.89 22.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 153.76 116.62 0.62 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 tp -163.84 162.11 23.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -134.2 168.06 19.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -107.74 155.49 20.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.0 m -171.69 148.74 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 t -165.8 153.9 10.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 152.98 73.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -175.38 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.375 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -174.69 176.54 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.5 p -71.79 -57.79 4.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 m -126.65 87.2 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 0.0 110.853 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 p -164.96 143.29 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.76 -124.0 3.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.447 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 m -99.06 87.38 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.3 p -129.94 -44.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.79 49.2 0.45 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.4 m -108.4 132.43 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -110.92 162.11 15.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -77.33 157.81 30.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -116.06 129.84 56.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.8 mtt85 -102.05 171.53 7.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 p -137.68 117.15 12.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.546 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 8.3 m-85 -127.79 151.82 48.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.509 HD13 ' HB ' ' A' ' 24' ' ' THR . 2.7 pp -140.51 166.77 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.548 HD13 HD13 ' A' ' 41' ' ' LEU . 74.1 mt -101.77 112.47 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.619 ' HG3' HG22 ' A' ' 24' ' ' THR . 15.2 ttm180 -101.14 100.21 10.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -58.04 168.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -115.52 -53.09 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.11 -17.36 0.95 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.594 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 28.0 p -134.67 -27.15 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 t80 75.0 33.22 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -102.68 157.68 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.619 HG22 ' HG3' ' A' ' 17' ' ' ARG . 72.5 p -118.58 139.62 51.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.3 t -132.34 126.21 32.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 3.1 m -70.43 88.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 26' ' ' SER . 11.1 m-20 -175.06 133.76 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.4 mmt -112.14 30.11 7.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -135.0 -38.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.6 mtt-85 -47.67 123.82 6.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.82 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.514 HG13 ' CD2' ' A' ' 32' ' ' PHE . 8.1 p -97.36 -14.16 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.625 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 13.3 m-85 -122.48 151.82 40.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.413 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 8.5 t -97.55 154.58 17.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.76 -43.09 2.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.594 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 3.1 t-160 -45.75 -62.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.9 p -106.78 -48.26 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 33' ' ' CYS . . . 115.75 35.69 1.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -79.56 156.68 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.625 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 2.1 tttt -103.78 1.73 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 40' ' ' THR . 10.4 t -123.24 120.25 32.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.548 HD13 HD13 ' A' ' 16' ' ' LEU . 71.4 mt -120.58 141.3 50.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.0 117.77 34.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HD3' ' CD2' ' A' ' 14' ' ' TYR . 7.9 ttmt -72.01 134.06 45.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.496 HG21 ' NH2' ' A' ' 17' ' ' ARG . 6.8 p -141.27 147.34 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 52.3 p -86.66 151.7 23.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 m -140.59 123.85 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.5 m -97.13 150.9 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.503 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.5 mp -109.67 107.72 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -74.05 154.19 39.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.89 -57.98 2.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -52.38 -49.14 65.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.51 68.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.4 p -136.58 147.76 47.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.148 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.2 mt -99.16 99.13 10.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -84.58 133.73 34.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.423 ' HB3' ' NH2' ' A' ' 17' ' ' ARG . 65.8 mtt -120.36 136.65 54.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.2 146.87 23.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.896 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -104.02 157.26 17.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -98.39 -57.31 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -84.6 174.97 9.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -74.67 151.62 87.03 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.702 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 166.59 27.06 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -132.95 84.01 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.4 m -116.46 36.94 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.0 mt -109.75 87.42 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.417 ' CG ' ' HD2' ' A' ' 67' ' ' PRO . 10.3 t30 -137.77 140.06 28.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.77 161.42 45.98 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.459 ' O ' ' C ' ' A' ' 69' ' ' GLY . 27.5 ptt180 -82.97 88.13 6.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 68' ' ' ARG . . . 33.82 -137.23 0.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 71' ' ' ARG . 40.6 tp -146.74 157.94 43.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.943 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.445 ' N ' ' HG ' ' A' ' 70' ' ' LEU . 12.3 tpt180 -85.56 152.71 22.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.809 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.409 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 8.8 p90 -75.94 171.1 14.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.0 p -104.07 139.24 39.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.4 m -57.84 139.21 54.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.11 142.26 19.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 145.25 56.37 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.329 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.4 p -83.44 123.33 29.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 92.0 p -68.71 115.53 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.462 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -126.61 116.13 20.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.351 . . . . 0.0 110.859 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -93.83 146.55 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -152.06 81.5 0.18 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' GLY . 66.2 p 37.23 42.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -141.95 119.51 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.88 -45.74 1.79 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.6 t -74.86 121.75 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.339 . . . . 0.0 111.125 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.7 mmm-85 -43.07 162.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -85.6 109.57 18.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.23 146.22 24.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.5 mtm-85 -109.77 163.56 13.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -126.3 113.14 16.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.54 ' CD2' ' HE3' ' A' ' 43' ' ' LYS . 4.8 m-85 -117.8 155.39 30.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.596 HG13 HG13 ' A' ' 44' ' ' VAL . 2.8 pt -133.61 165.09 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' A' ' 41' ' ' LEU . 94.7 mt -99.41 112.85 24.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.673 ' HG3' HG22 ' A' ' 24' ' ' THR . 30.0 ttp180 -103.82 103.36 13.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 t -44.03 167.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.451 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 9.1 p-80 -120.22 -41.66 2.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.4 ' N ' ' CG ' ' A' ' 19' ' ' HIS . . . -61.08 -23.6 61.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.511 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -130.51 -11.21 4.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 63.97 36.5 10.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 24' ' ' THR . 3.8 tppp? -102.06 147.79 26.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.673 HG22 ' HG3' ' A' ' 17' ' ' ARG . 20.9 p -106.34 143.33 34.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 t -142.82 134.36 26.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -70.83 89.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.3 t0 -175.44 133.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.5 mmt -114.09 20.58 15.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -134.35 -37.17 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.536 ' O ' HD12 ' A' ' 41' ' ' LEU . 64.7 mtt-85 -45.68 130.42 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.568 HG13 ' CD2' ' A' ' 32' ' ' PHE . 15.0 p -104.69 -13.17 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.568 ' CD2' HG13 ' A' ' 31' ' ' VAL . 80.8 m-85 -117.26 143.73 45.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.2 t -91.87 161.32 14.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.81 -50.41 1.65 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -52.05 -59.16 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 20.7 p -109.47 -47.95 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 98.45 89.38 1.94 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -126.26 151.95 46.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -90.14 5.48 46.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 40' ' ' THR . 3.7 t -132.72 113.44 12.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 30' ' ' ARG . 85.9 mt -109.67 140.32 43.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -95.61 121.47 37.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.54 ' HE3' ' CD2' ' A' ' 14' ' ' TYR . 10.5 ttpt -71.21 137.43 48.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.596 HG13 HG13 ' A' ' 15' ' ' ILE . 2.1 p -141.95 144.97 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 98.1 p -83.95 161.5 20.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.42 HG12 ' CG ' ' A' ' 56' ' ' MET . 20.0 m -154.54 135.79 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.4 m -99.1 146.63 25.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.4 mm -109.99 143.96 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' ASP . 3.1 t30 -125.13 152.39 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' ASN . 6.5 t70 -37.25 -50.41 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.806 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.29 -42.51 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.812 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.81 81.23 1.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.8 p -128.34 156.16 43.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.834 0.35 . . . . 0.0 111.089 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.7 mt -105.68 110.08 22.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -111.68 103.53 11.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.42 ' CG ' HG12 ' A' ' 46' ' ' VAL . 9.4 mtt -104.64 117.2 33.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -100.26 116.36 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -103.02 176.73 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 55.2 p -115.23 168.0 10.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 62.0 47.71 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.6 p-10 -85.09 118.82 71.67 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 177.4 5.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.358 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 64' ' ' VAL . 6.7 pttp -111.81 77.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 64' ' ' VAL . 27.7 m -36.46 118.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.455 ' HG ' ' N ' ' A' ' 66' ' ' ASN . 8.4 tp -130.66 150.32 51.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.455 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 12.5 p30 -105.54 149.3 37.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.637 0.732 . . . . 0.0 110.854 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -168.84 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.226 . . . . 0.0 112.342 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.09 133.29 39.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.76 168.68 2.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.6 tp -153.45 158.58 41.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 72' ' ' TYR . 0.7 OUTLIER -97.03 175.39 6.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.427 ' N ' ' HD3' ' A' ' 71' ' ' ARG . 51.0 t80 -114.08 155.67 25.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.3 t -157.65 163.8 37.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.6 p -139.85 174.49 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.87 142.28 5.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -175.25 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.342 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -157.9 175.84 13.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.5 t -167.6 175.68 6.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 t -107.25 140.64 39.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 t -85.36 151.53 23.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.67 168.46 17.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.503 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -164.46 140.58 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.826 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -148.53 160.3 43.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.67 -99.83 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.2 t -122.05 117.58 52.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -169.97 135.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -86.29 127.23 34.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -106.41 111.76 24.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -123.19 151.74 41.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -159.72 109.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 5.4 m-85 -100.14 164.0 12.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.614 HD13 ' HB ' ' A' ' 24' ' ' THR . 2.2 pp -152.64 161.11 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.701 HD13 ' CD1' ' A' ' 41' ' ' LEU . 79.5 mt -100.34 114.01 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.688 ' HG3' HG22 ' A' ' 24' ' ' THR . 51.8 ttt-85 -98.95 99.55 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 22' ' ' PHE . 51.6 t -57.23 164.8 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -116.43 -50.59 2.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.68 -32.87 1.42 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 29.4 p -126.43 -20.13 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.872 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 47.4 m-85 72.81 49.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -118.61 157.31 27.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.688 HG22 ' HG3' ' A' ' 17' ' ' ARG . 33.2 p -116.18 145.65 42.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 25' ' ' THR . 14.4 t -142.82 128.65 19.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 49.7 p -66.32 89.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.467 ' CG ' ' O ' ' A' ' 26' ' ' SER . 8.9 m-20 -175.96 158.56 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.553 ' HE2' ' HG ' ' A' ' 16' ' ' LEU . 8.4 mmt -134.78 27.04 3.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 30' ' ' ARG . 9.0 m-20 -134.63 -40.15 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.473 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -32.64 114.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.929 HG13 ' CD2' ' A' ' 32' ' ' PHE . 7.7 p -91.93 -9.2 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.929 ' CD2' HG13 ' A' ' 31' ' ' VAL . 59.9 m-85 -139.26 104.98 5.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 32' ' ' PHE . 41.2 t -35.77 153.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -91.61 -43.64 4.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.538 ' CD2' ' HG2' ' A' ' 23' ' ' LYS . 36.7 t-80 -58.68 -66.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 23.7 p -104.23 -48.73 3.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 108.82 96.13 2.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -126.11 150.89 47.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 110.916 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.451 ' CG ' ' CE1' ' A' ' 32' ' ' PHE . 32.3 mtpt -92.91 6.35 48.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 40' ' ' THR . 5.2 t -137.31 115.13 11.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.701 ' CD1' HD13 ' A' ' 16' ' ' LEU . 50.4 mt -116.32 134.68 54.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -98.31 116.46 30.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -70.83 134.76 47.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.9 p -142.84 141.78 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.151 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 90.2 p -84.97 146.94 26.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.419 HG12 ' HG2' ' A' ' 56' ' ' MET . 15.0 m -137.99 116.23 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.3 m -88.36 143.79 26.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.8 mp -97.84 150.92 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' ASP . 24.1 t-20 -125.92 153.59 44.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' ASN . 1.2 m-20 -37.66 -60.76 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.53 -44.06 93.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.93 71.6 0.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.5 p -129.98 145.17 51.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.809 0.338 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.2 mt -82.35 152.34 26.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -127.53 82.29 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.586 ' HE3' HD11 ' A' ' 15' ' ' ILE . 25.1 mtp -109.63 112.83 25.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -102.65 136.93 41.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -88.44 163.12 16.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.0 t -59.21 132.62 54.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.805 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.8 mtp85 -50.78 122.93 8.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.0 151.95 64.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.629 0.728 . . . . 0.0 110.827 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 95.1 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -85.36 80.93 8.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.7 m -112.37 -29.22 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 tt -66.86 120.15 13.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.411 ' CG ' ' HD2' ' A' ' 67' ' ' PRO . 25.8 t-20 -88.31 140.55 30.4 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.653 0.74 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 66' ' ' ASN . 54.4 Cg_endo -69.76 147.6 63.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.0 mtm105 -85.44 120.62 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.56 161.34 23.93 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.6 tp -63.85 155.33 30.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -43.68 119.77 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -61.32 173.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -132.39 157.92 43.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 t -156.47 155.27 31.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.75 152.65 20.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 126.73 13.66 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.664 2.243 . . . . 0.0 112.377 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.9 m -58.75 -57.21 14.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.4 m -153.92 163.65 39.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -114.51 142.83 45.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.381 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -98.52 117.61 33.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.86 71.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 t -167.42 132.6 1.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 t -77.56 155.23 31.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.7 -144.51 15.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.535 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.2 t -125.08 131.86 71.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.795 0.331 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -91.05 144.29 25.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -81.74 121.14 26.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -113.89 99.7 7.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -141.47 140.32 33.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.2 m -104.0 112.69 25.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 9.7 m-85 -106.44 160.2 15.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.453 HG13 HG13 ' A' ' 44' ' ' VAL . 1.5 pt -143.08 162.79 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.471 HD13 HD13 ' A' ' 41' ' ' LEU . 93.0 mt -99.82 115.28 29.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' HB2' HG11 ' A' ' 44' ' ' VAL . 52.9 ttt-85 -97.5 123.21 41.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.6 t -77.55 168.78 19.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.553 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 56.0 t-80 -106.29 -73.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.59 -68.18 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 17.7 p -76.23 -29.15 57.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 19' ' ' HIS . 61.4 m-85 66.2 43.49 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.414 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 43.1 mmtt -108.85 150.81 27.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.7 p -108.13 137.33 46.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.155 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.9 t -133.37 131.93 40.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 28.6 t -73.48 90.02 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.467 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.3 m-20 -175.49 109.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 81.3 mmm -93.34 27.22 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -134.98 -34.08 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.467 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 44.1 mtt180 -51.84 141.37 17.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.749 HG13 ' CD2' ' A' ' 32' ' ' PHE . 14.7 p -109.76 -15.81 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.749 ' CD2' HG13 ' A' ' 31' ' ' VAL . 57.4 m-85 -120.54 110.36 16.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.41 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 14.7 t -37.96 157.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -86.46 -45.61 5.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -61.64 -74.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 24.4 p -90.62 -48.7 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 97.3 84.57 1.75 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -114.3 155.21 26.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.904 0.383 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -86.27 7.76 24.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 40' ' ' THR . 4.8 t -134.16 114.15 12.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.471 HD13 HD13 ' A' ' 16' ' ' LEU . 83.8 mt -123.22 134.01 54.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -95.18 123.92 38.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -72.41 135.92 45.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.503 HG11 ' HB2' ' A' ' 17' ' ' ARG . 2.6 p -142.23 143.1 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.146 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 68.0 p -85.26 148.88 25.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.4 HG21 HD22 ' A' ' 54' ' ' LEU . 28.1 m -146.37 147.96 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -109.9 154.4 23.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.4 mm -105.76 96.73 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -82.13 155.37 25.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.18 -36.03 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.75 ' O ' HG23 ' A' ' 53' ' ' THR . 23.3 t0 -83.64 35.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 51' ' ' ASP . . . 32.73 60.73 0.39 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.498 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 51' ' ' ASP . 30.7 p -126.91 157.45 39.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.155 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.4 HD22 HG21 ' A' ' 46' ' ' VAL . 9.3 mt -110.03 147.27 33.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -113.1 132.87 55.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -132.4 98.91 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -63.44 122.11 15.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -143.12 138.67 30.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.2 t -44.45 99.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.56 34.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -124.87 122.68 25.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.66 0.743 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 87.21 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -53.03 -58.39 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.4 m -113.35 131.77 64.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.28 107.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.79 120.85 48.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.854 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 116.21 4.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.331 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -147.68 179.1 7.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -162.47 157.9 29.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.529 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.4 tp -58.69 134.62 56.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.29 172.94 8.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -101.06 166.43 10.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 m -161.37 138.06 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.3 p -67.73 -43.8 79.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.84 129.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -176.5 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.7 m -104.7 177.52 4.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.0 p -124.92 -61.53 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -62.13 149.34 41.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 110.825 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -109.65 115.53 30.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.15 61.4 3.05 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -64.36 124.07 20.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.0 p -87.71 151.07 23.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.23 151.0 5.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.4 p -105.62 143.75 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 111.176 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 9' ' ' ARG . 15.5 mtp-105 -122.84 171.67 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -107.6 146.2 32.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -108.22 125.71 51.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.584 ' HD2' ' CD1' ' A' ' 14' ' ' TYR . 14.5 tpp85 -126.05 137.62 53.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.9 m -127.58 82.89 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.584 ' CD1' ' HD2' ' A' ' 12' ' ' ARG . 6.4 m-85 -134.9 149.84 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.556 HD13 ' HB ' ' A' ' 24' ' ' THR . 2.1 pp -137.73 163.75 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.152 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.2 mt -99.87 114.23 27.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.625 ' HG3' HG22 ' A' ' 24' ' ' THR . 18.5 ttt85 -104.68 115.35 30.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.8 t -59.48 -179.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -116.39 -70.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.89 -26.4 1.17 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.52 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 26.6 p -125.2 3.36 7.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' CYS . 20.7 p90 36.39 32.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 6.3 tptm -87.5 165.67 15.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.625 HG22 ' HG3' ' A' ' 17' ' ' ARG . 16.7 p -123.54 146.64 47.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.4 t -141.07 130.5 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.459 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 64.3 p -68.15 88.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.462 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.6 m-20 -177.22 141.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.426 ' CE ' ' HG3' ' A' ' 43' ' ' LYS . 64.0 mmm -121.87 21.72 10.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -131.98 -34.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.462 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 49.5 mtt-85 -50.67 147.93 4.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.817 HG13 ' HD1' ' A' ' 32' ' ' PHE . 5.7 p -118.17 -17.69 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.817 ' HD1' HG13 ' A' ' 31' ' ' VAL . 2.9 m-85 -109.74 154.38 23.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.454 ' HB3' ' CA ' ' A' ' 37' ' ' GLY . 17.3 t -98.17 149.19 22.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.01 -44.29 7.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -60.4 -74.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 19.9 p -95.73 -47.63 6.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.454 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . . . 102.08 95.45 2.27 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -127.08 139.33 53.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.917 0.389 . . . . 0.0 110.83 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.647 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 37.2 mttt -80.29 -0.47 36.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 40' ' ' THR . 6.5 t -127.66 112.36 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.5 mt -114.07 135.87 53.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -96.97 120.21 36.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.426 ' HG3' ' CE ' ' A' ' 28' ' ' MET . 18.6 ttmt -73.59 137.58 44.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 45' ' ' SER . 2.6 p -142.13 150.19 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 24.4 p -84.48 161.32 20.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.4 m -150.06 130.38 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.3 m -85.5 152.47 23.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.486 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.6 mp -106.21 139.16 28.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -116.16 153.7 31.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -38.58 -52.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.35 -42.72 87.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.19 47.78 0.8 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.6 p -108.1 137.76 45.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 111.113 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.547 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 7.4 mt -70.95 162.26 29.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 54' ' ' LEU . 91.9 m-70 -164.49 120.76 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -122.81 149.24 44.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -69.05 132.35 46.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -87.32 128.96 35.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 94.7 p -120.23 -43.25 2.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 61' ' ' ASN . 15.8 ptm180 -37.35 -46.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.465 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 15.8 p30 -99.99 130.32 26.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.658 0.742 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.91 4.07 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.266 . . . . 0.0 112.353 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -82.94 88.88 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.3 m -93.57 158.32 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 tp -134.03 -43.38 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -144.12 148.34 41.18 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.707 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 121.0 7.69 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 0.0 112.307 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.4 ptt85 -83.25 157.25 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 151.21 141.46 3.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.9 mt -153.71 164.53 38.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 72' ' ' TYR . 42.8 ttt85 -154.04 151.22 29.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.434 ' N ' ' HG2' ' A' ' 71' ' ' ARG . 7.0 t80 -135.43 154.09 51.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.8 t -171.17 126.89 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.828 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.2 p -160.39 171.74 18.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.31 71.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.531 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -174.72 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 84.4 p -173.83 154.35 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.6 m -160.3 175.43 12.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -142.76 148.89 37.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -152.37 133.63 14.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.73 -138.31 3.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -95.99 81.37 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.854 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -87.92 -48.1 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.99 67.9 1.31 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.442 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.2 t -119.42 118.95 59.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.3 ptt-85 -76.23 179.89 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -98.84 146.07 26.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -107.55 153.07 23.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.604 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 6.3 ptp180 -86.81 25.77 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.58 ' O ' HG22 ' A' ' 46' ' ' VAL . 3.4 m 64.19 25.24 13.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.604 ' CD2' ' HD2' ' A' ' 12' ' ' ARG . 3.5 m-30 -101.67 155.56 18.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.467 HD11 ' CE ' ' A' ' 56' ' ' MET . 2.2 pt -139.42 179.29 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.111 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.617 HD13 HD13 ' A' ' 41' ' ' LEU . 13.5 mt -116.59 112.9 21.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.457 ' HD3' ' HE2' ' A' ' 56' ' ' MET . 26.2 ttp180 -100.34 89.74 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.1 t -49.17 166.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -113.69 -51.8 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.09 -17.79 0.68 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 24.8 p -133.97 -27.49 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.5 t80 74.81 30.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -109.74 153.83 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.7 p -100.7 147.63 25.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.533 ' O ' HG23 ' A' ' 25' ' ' THR . 5.5 t -135.76 121.62 19.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.432 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 47.5 p -61.48 89.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 26' ' ' SER . 13.2 m-20 -175.09 153.78 1.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.847 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.9 mmt -130.99 6.3 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -134.95 32.2 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.817 ' O ' HD12 ' A' ' 41' ' ' LEU . 30.9 mtt-85 -109.63 111.31 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.658 HG13 ' CD2' ' A' ' 32' ' ' PHE . 9.0 p -82.8 -11.49 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.658 ' CD2' HG13 ' A' ' 31' ' ' VAL . 30.5 m-85 -120.04 175.46 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.0 t -124.9 158.24 34.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.07 -44.56 1.73 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 21' ' ' CYS . 16.5 t-80 -47.33 -64.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.2 p -101.78 -47.92 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.29 31.18 2.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.462 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.589 ' OD1' HG22 ' A' ' 40' ' ' THR . 0.8 OUTLIER -73.27 155.84 39.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.872 -179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.584 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 9.5 tttm -101.89 23.26 11.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.589 HG22 ' OD1' ' A' ' 38' ' ' ASN . 5.2 t -148.76 130.18 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.817 HD12 ' O ' ' A' ' 30' ' ' ARG . 51.4 mt -127.17 145.47 50.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -108.25 114.18 27.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -70.03 137.73 51.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.3 p -143.21 148.11 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 24.6 p -92.75 155.72 17.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 13' ' ' SER . 8.2 m -137.47 123.17 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.1 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.0 m -95.9 141.17 29.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.494 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.6 mp -94.42 127.99 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -105.25 154.43 20.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -40.94 -52.67 3.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.39 -48.04 77.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.18 38.95 0.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 55.8 p -105.42 162.46 13.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 0.0 111.124 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.0 mt -112.91 118.58 35.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -88.5 102.16 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.491 ' HG2' HG12 ' A' ' 46' ' ' VAL . 47.8 mtp -101.69 133.13 46.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -66.99 108.17 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -63.72 142.71 58.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.5 t -93.93 123.96 37.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -97.54 142.72 29.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -83.55 153.17 64.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.601 0.715 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 173.5 10.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 64' ' ' VAL . 28.3 ttmt 45.9 41.26 7.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 64' ' ' VAL . 33.7 m -34.21 121.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.8 tp -151.56 137.17 17.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -80.82 146.77 60.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.72 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 91.06 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.355 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -118.02 90.1 3.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.27 102.23 2.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.527 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 46.0 mt -149.09 134.1 18.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.787 0.327 . . . . 0.0 110.928 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -129.79 168.37 16.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -88.93 112.78 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.7 t -159.67 141.86 13.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 t -164.64 177.71 7.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.71 128.14 1.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 86.38 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.352 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.6 t -41.09 -49.92 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t 57.92 42.17 23.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -132.3 -55.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 110.861 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -112.47 131.48 55.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.44 96.98 0.18 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -131.12 158.81 39.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 m -140.13 175.51 9.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.42 -72.08 2.57 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -94.63 130.94 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 10' ' ' GLU . 7.5 ptp85 -69.18 -45.85 68.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 9' ' ' ARG . 4.4 mm-40 -120.27 115.32 23.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.69 126.2 27.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -114.78 151.42 33.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.6 m -107.38 108.88 20.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.592 ' CD2' ' HE2' ' A' ' 43' ' ' LYS . 6.7 m-85 -115.48 171.56 7.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.448 HG23 ' C ' ' A' ' 14' ' ' TYR . 2.1 pp -158.62 163.43 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -101.18 113.4 26.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 17' ' ' ARG . 34.9 ttt180 -101.28 104.86 15.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 t -55.37 161.14 2.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.402 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 24.3 t-80 -117.09 -51.75 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.02 -23.73 1.19 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.431 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 29.8 p -130.12 -14.41 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.884 0.373 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 76.8 m-85 63.8 53.12 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.636 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 23.3 mmtt -126.89 152.74 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.9 p -108.53 145.1 35.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.5 t -141.99 136.47 30.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 73.3 p -83.55 88.51 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 26' ' ' SER . 6.6 m-20 -176.42 105.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.4 mtp -88.28 19.81 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -134.61 28.26 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.461 ' O ' HD12 ' A' ' 41' ' ' LEU . 14.8 mtt180 -110.2 111.88 23.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 7.9 p -79.82 -10.84 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 4.7 m-85 -138.17 148.09 44.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.7 t -85.1 159.01 20.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -98.33 -37.85 4.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.636 ' CD2' ' HG3' ' A' ' 23' ' ' LYS . 39.9 t-80 -56.44 -62.25 1.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 0.0 110.834 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.6 p -103.3 -51.72 3.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 33' ' ' CYS . . . 109.41 70.39 0.66 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -121.87 141.21 51.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.902 0.382 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -83.2 10.78 7.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 40' ' ' THR . 3.6 t -123.58 117.16 24.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 30' ' ' ARG . 70.8 mt -125.21 138.94 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -100.45 124.7 46.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.592 ' HE2' ' CD2' ' A' ' 14' ' ' TYR . 70.3 tttt -75.46 134.89 40.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -144.22 140.68 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 81.2 p -84.52 143.54 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.805 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.515 HG12 ' HG2' ' A' ' 56' ' ' MET . 19.4 m -141.69 117.64 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.8 m -98.29 144.05 28.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.534 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.3 mp -94.63 144.85 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -112.66 153.01 28.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -43.0 -46.69 5.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.89 -42.92 89.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.17 74.58 0.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.3 p -135.79 162.27 33.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 111.138 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 mp -105.8 116.41 31.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -101.32 99.54 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.573 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 30.9 mtt -114.07 150.2 34.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -74.23 96.13 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 96.7 m-85 -96.06 128.53 43.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 60' ' ' ARG . 33.1 m -108.36 85.75 2.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' SER . 60.4 ttp85 -35.17 149.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -112.64 152.14 44.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 108.64 2.12 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.671 2.248 . . . . 0.0 112.366 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -76.47 82.88 3.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.4 m -80.16 -30.67 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 41.9 tp -83.76 132.81 34.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.411 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -163.75 105.36 0.93 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.645 0.736 . . . . 0.0 110.905 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 66' ' ' ASN . 54.4 Cg_endo -69.75 149.06 66.43 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.363 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.8 mmm-85 -85.03 176.44 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -149.25 100.87 0.21 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 70' ' ' LEU . 3.8 tt -69.2 144.32 53.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.812 0.339 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -97.94 132.38 43.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -74.28 142.59 45.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.3 m -122.44 106.25 10.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.5 p -73.38 144.26 46.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.32 144.19 10.16 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 145.35 57.0 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.254 . . . . 0.0 112.35 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 t -115.68 92.82 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.4 m -41.45 -47.43 3.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -82.21 41.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.358 . . . . 0.0 110.866 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -132.63 155.54 48.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.82 -112.94 0.53 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 m -135.84 144.58 45.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.918 0.389 . . . . 0.0 110.856 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 t -125.81 114.16 18.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.35 147.68 4.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.1 t -91.87 102.72 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -155.9 125.02 6.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -80.22 129.96 34.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.34 138.16 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -100.84 -179.23 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.16 129.09 15.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 45' ' ' SER . 4.6 m-85 -117.32 153.14 33.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.458 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.3 pp -135.91 163.67 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.1 mt -107.01 115.14 29.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.625 ' CB ' HG22 ' A' ' 24' ' ' THR . 7.4 ptt-85 -108.96 126.21 52.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' LYS . 4.9 t -52.31 172.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 42' ' ' LYS . 1.3 m170 -109.43 -71.47 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.56 -69.56 0.47 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -68.42 -30.99 70.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.4 t80 75.03 45.52 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -105.75 172.78 6.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.625 HG22 ' CB ' ' A' ' 17' ' ' ARG . 40.6 p -128.6 157.16 42.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 25' ' ' THR . 7.7 t -152.75 125.1 8.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.7 p -68.6 89.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -175.74 149.99 1.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.5 mmm -124.09 23.9 8.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 30' ' ' ARG . 1.8 t-20 -129.11 -37.6 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' ASN . 40.8 mtt-85 -37.02 146.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -129.62 -6.12 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.613 ' CZ ' ' CG ' ' A' ' 39' ' ' LYS . 2.7 m-85 -141.62 134.96 29.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 10.5 t -82.53 157.01 23.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.401 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.02 -38.25 2.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.54 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -50.02 -57.22 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.9 p -110.82 -49.04 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.71 75.4 0.76 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -126.61 137.72 53.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.613 ' CG ' ' CZ ' ' A' ' 32' ' ' PHE . 6.3 tmtt? -87.28 9.11 21.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 40' ' ' THR . 14.1 t -127.41 110.38 12.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' C ' ' NE2' ' A' ' 19' ' ' HIS . 93.7 mt -104.36 172.72 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.571 ' HB2' ' CD2' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -127.84 128.18 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.818 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -77.98 129.68 35.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 p -141.31 137.82 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 34.6 t -82.94 148.6 27.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.468 HG12 ' HG3' ' A' ' 56' ' ' MET . 7.8 m -133.76 141.09 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -91.63 154.2 19.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 48' ' ' ILE . 5.0 mp -105.83 117.72 52.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ASP . 4.3 m120 -91.36 151.56 20.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -36.86 -68.61 0.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -54.37 -44.35 72.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.54 60.25 0.28 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.2 p -114.35 164.43 13.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.848 0.356 . . . . 0.0 111.121 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mp -94.5 141.89 28.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -145.95 109.47 4.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.468 ' HG3' HG12 ' A' ' 46' ' ' VAL . 8.4 mtt -115.66 115.68 26.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -95.23 97.35 9.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -113.45 143.96 43.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.3 t -62.6 149.76 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 60' ' ' ARG . 0.4 OUTLIER -81.35 162.55 23.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -119.91 150.39 50.68 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.626 0.727 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 100.78 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.323 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -128.09 -53.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.8 m -95.59 125.52 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.7 tp -171.67 114.23 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -98.06 121.46 57.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.668 0.747 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -43.47 2.64 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.701 2.267 . . . . 0.0 112.326 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -167.78 132.94 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.33 156.4 23.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.84 HD23 ' H ' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -73.89 115.83 13.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -91.01 163.39 14.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -122.46 148.59 44.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m -109.41 166.9 10.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.5 m -147.86 161.99 40.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.55 110.18 0.27 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 171.48 14.38 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.691 2.261 . . . . 0.0 112.396 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.1 m -150.07 119.65 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.9 m -166.44 174.76 8.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.3 p -46.07 -45.39 16.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.855 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 t -59.55 128.0 34.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 104.01 -85.68 0.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLY . 27.4 p 36.83 41.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.0 110.874 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -74.19 131.59 41.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.32 108.47 0.65 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.4 t -91.66 95.62 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 111.139 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 9' ' ' ARG . 8.4 ttt180 -85.48 112.34 20.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -89.31 118.75 29.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -112.39 95.95 5.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -87.85 89.32 7.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m -76.2 109.09 9.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 45' ' ' SER . 3.8 m-85 -111.48 163.49 13.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 pt -142.6 169.13 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.7 mt -109.27 112.86 25.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 ttp-105 -93.18 107.64 19.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.5 t -56.4 170.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.44 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 1.2 m170 -118.55 -52.29 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.97 -20.17 8.04 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -131.33 -23.92 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 71.62 35.49 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -103.51 169.02 8.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.447 HG21 ' HE1' ' A' ' 56' ' ' MET . 63.2 p -121.66 143.28 49.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 25' ' ' THR . 14.8 t -138.89 127.31 22.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -65.77 91.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -175.14 136.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.9 mmt -116.08 23.16 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -134.9 -37.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -43.5 138.59 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.9 p -115.93 -9.68 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.59 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 1.2 m-85 -131.03 138.22 49.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 13.0 t -85.54 158.89 20.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -101.56 -41.13 2.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -52.43 -61.81 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 31.4 p -106.5 -48.77 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.402 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 106.56 84.79 1.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.425 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 3.8 m-20 -126.36 140.55 52.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.884 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.59 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 2.7 tttm -87.61 7.11 31.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 40' ' ' THR . 2.2 t -133.85 117.29 16.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.148 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.8 mt -120.8 139.11 53.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.44 ' HG2' ' CE1' ' A' ' 19' ' ' HIS . 23.0 mmtt -96.83 127.6 42.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HE3' ' CD2' ' A' ' 14' ' ' TYR . 69.1 tttt -77.87 136.93 38.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.2 p -143.03 144.43 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 21.5 t -86.88 154.75 20.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.492 HG12 ' CG ' ' A' ' 56' ' ' MET . 17.4 m -143.39 156.62 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.1 m -118.75 141.55 48.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.3 mm -101.3 100.61 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -77.22 153.32 34.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -41.84 -49.27 4.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.85 -43.06 94.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.95 38.67 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 61.6 p -106.4 158.82 16.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 111.134 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.3 mt -103.14 163.72 12.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -129.75 82.02 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.492 ' CG ' HG12 ' A' ' 46' ' ' VAL . 21.2 mtp -121.07 111.65 17.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.15 136.86 52.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -80.66 156.34 26.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.1 t -83.42 -45.93 13.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -110.84 140.21 45.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -74.5 147.78 85.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.468 ' O ' HG13 ' A' ' 64' ' ' VAL . 54.2 Cg_endo -69.73 -10.74 29.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.4 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt 44.56 46.15 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 62' ' ' PRO . 30.6 m -111.45 -178.52 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.734 HD23 ' H ' ' A' ' 65' ' ' LEU . 1.3 pt? -90.15 141.06 29.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -91.78 140.15 24.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.582 0.705 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 167.87 23.19 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.349 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -150.27 171.24 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.34 173.56 6.7 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.45 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.636 HD23 ' N ' ' A' ' 71' ' ' ARG . 1.6 tt -86.14 153.72 21.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.776 0.322 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.636 ' N ' HD23 ' A' ' 70' ' ' LEU . 5.5 tpm_? -149.11 122.67 9.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.448 ' CD2' ' O ' ' A' ' 73' ' ' SER . 61.7 t80 -135.51 161.11 36.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.448 ' O ' ' CD2' ' A' ' 72' ' ' TYR . 73.7 p -88.35 174.79 7.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -156.26 174.57 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.798 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.84 137.1 4.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -50.23 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.727 2.284 . . . . 0.0 112.333 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 83.1 p 38.29 42.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.0 p -71.46 153.12 42.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.423 ' O ' HG22 ' A' ' 46' ' ' VAL . 24.4 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 45' ' ' SER . 5.8 m-85 -123.2 174.55 7.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.521 HG13 HG13 ' A' ' 44' ' ' VAL . 2.5 pt -156.16 162.04 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.175 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.0 mt -102.79 116.89 33.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -104.31 113.75 27.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.4 t -63.42 176.82 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -117.43 -71.45 0.74 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.92 -35.5 0.38 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 35' ' ' HIS . 23.6 p -113.1 -32.41 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.916 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 t80 74.91 38.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -105.75 143.44 33.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.3 p -104.25 134.23 47.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 t -124.72 130.22 51.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -61.87 89.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.43 ' CG ' ' HG3' ' A' ' 30' ' ' ARG . 2.5 t0 -176.39 125.64 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 75.2 mmm -108.37 19.18 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.05 -35.21 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.43 ' HG3' ' CG ' ' A' ' 27' ' ' ASP . 35.5 mtp180 -48.39 150.69 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.607 HG13 ' HD1' ' A' ' 32' ' ' PHE . 6.9 p -118.33 -18.43 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.607 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 27.0 m-85 -108.92 168.24 9.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.8 t -115.22 158.98 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.42 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -104.37 -46.7 1.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.411 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.9 t-160 -44.1 -60.88 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.3 p -107.27 -47.48 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 33' ' ' CYS . . . 117.63 28.27 2.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -63.28 155.49 28.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.607 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 6.2 ttpt -103.97 15.91 27.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 40' ' ' THR . 12.6 t -144.74 129.9 18.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.9 mt -126.24 134.02 51.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.14 132.54 42.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -78.88 133.92 36.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.521 HG13 HG13 ' A' ' 15' ' ' ILE . 3.6 p -139.9 140.76 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.453 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 95.0 p -82.45 160.78 22.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 13' ' ' SER . 22.7 m -148.51 144.14 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.1 m -103.07 148.43 25.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.19 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.5 mm -112.45 142.54 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -121.23 153.33 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -42.1 -44.61 3.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -66.74 -44.15 82.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.53 67.15 0.51 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.9 p -127.8 160.93 30.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 111.182 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 66.4 mt -113.82 129.5 56.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -127.1 124.23 38.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.928 0.394 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 6.0 m-85 -104.63 154.16 20.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.951 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.412 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.5 pp -140.7 159.13 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.8 mt -100.48 113.61 26.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 18' ' ' CYS . 48.9 ttt180 -107.62 95.0 5.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 17' ' ' ARG . 8.3 t -43.01 166.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -115.93 -52.78 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.98 -18.62 1.17 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.557 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 28.3 p -133.4 -22.75 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 70.87 40.38 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.4 tptt -112.56 143.61 43.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.8 p -100.05 146.72 26.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 25' ' ' THR . 7.4 t -139.95 125.59 19.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.7 p -63.44 89.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CG ' ' HG3' ' A' ' 30' ' ' ARG . 3.4 t70 -175.6 147.87 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.9 mmt -125.83 9.73 7.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -134.96 32.47 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.866 ' O ' HD12 ' A' ' 41' ' ' LEU . 27.0 mtt180 -109.11 114.28 27.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.689 HG13 ' HD1' ' A' ' 32' ' ' PHE . 8.3 p -87.94 -9.79 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.689 ' HD1' HG13 ' A' ' 31' ' ' VAL . 5.5 m-85 -122.63 167.68 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.9 t -118.64 159.58 23.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -106.72 -47.52 1.03 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.538 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 2.7 t60 -42.84 -56.19 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.7 p -111.68 -47.02 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.72 25.95 2.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -68.39 155.34 40.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.597 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 14.4 tttm -106.27 20.59 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 40' ' ' THR . 11.5 t -145.3 125.35 13.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.866 HD12 ' O ' ' A' ' 30' ' ' ARG . 80.4 mt -121.56 142.95 49.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -106.25 116.31 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -68.84 133.29 48.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 p -140.88 141.73 31.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 85.1 p -83.44 153.08 24.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.443 HG12 ' HG3' ' A' ' 56' ' ' MET . 23.0 m -144.06 137.51 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 50.4 m -91.26 145.8 24.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.3 mm -104.48 95.14 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -71.73 154.9 41.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -40.9 -59.46 1.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -59.63 -43.54 93.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.33 78.12 0.74 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.3 p -137.02 157.12 47.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.144 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.7 mt -95.6 120.33 35.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -112.44 98.42 7.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.443 ' HG3' HG12 ' A' ' 46' ' ' VAL . 25.6 mtm . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.586 ' CD2' ' HE2' ' A' ' 43' ' ' LYS . 10.0 m-85 -109.05 172.0 7.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.464 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.4 pp -158.32 159.67 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.605 HD13 ' CD1' ' A' ' 41' ' ' LEU . 77.9 mt -99.5 115.99 30.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.431 ' HG3' HG22 ' A' ' 24' ' ' THR . 10.7 ttp180 -104.83 94.24 5.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' LYS . 5.6 t -45.67 169.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -117.64 -52.52 2.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.2 -19.23 15.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.563 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 20.4 p -134.7 -0.69 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 2.1 p90 47.83 34.44 3.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 18' ' ' CYS . 40.7 tptt -99.51 155.0 17.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.431 HG22 ' HG3' ' A' ' 17' ' ' ARG . 69.3 p -114.82 145.58 41.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 t -140.06 134.27 31.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.195 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 86.1 p -73.39 90.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 26' ' ' SER . 8.1 m-20 -175.13 146.59 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.2 mmt -124.08 21.07 8.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -134.86 -36.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -45.22 121.93 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 p -97.52 -10.53 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.609 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 6.0 m-85 -126.37 132.02 51.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.54 ' HB2' HD21 ' A' ' 41' ' ' LEU . 13.3 t -78.75 159.48 27.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.36 -42.5 2.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.497 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 2.3 t-160 -48.68 -58.68 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.832 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.5 p -108.95 -48.52 3.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 33' ' ' CYS . . . 120.87 25.44 2.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -72.94 129.95 39.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.609 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -81.11 -2.26 47.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 40' ' ' THR . 5.8 t -117.66 119.71 35.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.605 ' CD1' HD13 ' A' ' 16' ' ' LEU . 41.7 mt -120.96 136.69 54.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.967 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -95.25 119.58 34.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.586 ' HE2' ' CD2' ' A' ' 14' ' ' TYR . 62.3 tttt -70.44 133.5 46.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 p -141.56 138.81 32.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.567 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 23.5 p -85.37 153.19 22.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 55' ' ' HIS . 29.5 m -145.33 156.19 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 84.8 m -116.56 144.21 44.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.6 mm -104.93 97.71 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -71.17 154.71 41.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -44.62 -50.87 9.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.94 -47.3 71.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.41 42.45 0.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.8 p -109.35 153.16 24.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.155 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.1 mt -96.57 154.64 17.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.536 ' O ' HG12 ' A' ' 46' ' ' VAL . 79.8 m-70 -133.52 118.79 18.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.8 mtt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.1 m . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 5.3 m-85 -118.06 156.71 28.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.907 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.631 HD13 ' HB ' ' A' ' 24' ' ' THR . 2.1 pp -141.33 163.32 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.456 HD13 HD13 ' A' ' 41' ' ' LEU . 69.3 mt -100.06 114.44 27.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -95.83 111.44 23.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.73 175.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.473 ' NE2' ' HG2' ' A' ' 42' ' ' LYS . 2.5 m80 -116.7 -71.42 0.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' HIS . . . -38.09 -38.08 0.52 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.431 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 28.3 p -110.91 -30.2 7.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 73.89 35.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 2.6 tptp -97.18 178.53 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.631 ' HB ' HD13 ' A' ' 15' ' ' ILE . 46.5 p -131.43 133.03 44.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 25' ' ' THR . 13.0 t -125.74 126.9 45.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.145 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.3 p -67.1 92.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.472 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 5.9 t0 -175.4 137.77 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.6 mmt -117.07 20.66 13.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -134.96 -36.17 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 39.2 mtt180 -48.36 157.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.595 HG13 ' CD2' ' A' ' 32' ' ' PHE . 7.6 p -126.13 -19.52 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.595 ' CD2' HG13 ' A' ' 31' ' ' VAL . 78.1 m-85 -109.76 158.44 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.3 t -100.27 156.67 17.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.94 -48.82 3.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -55.03 -64.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 19.6 p -106.07 -47.74 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.439 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 98.32 91.48 1.96 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 27.6 t-20 -121.65 145.54 47.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.875 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.446 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 20.5 mtpt -83.48 3.57 31.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 40' ' ' THR . 2.6 t -130.56 117.88 20.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.456 HD13 HD13 ' A' ' 16' ' ' LEU . 82.7 mt -123.28 131.53 53.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.473 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -94.08 125.29 38.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.789 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -76.78 132.38 39.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.9 p -141.16 146.96 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 23.4 p -90.63 144.07 26.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 55' ' ' HIS . 20.1 m -137.94 134.62 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.496 HG22 ' HB2' ' A' ' 55' ' ' HIS . 8.8 t -88.47 154.46 20.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.2 mm -90.08 118.37 35.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -95.44 155.2 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -48.07 -43.63 30.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.619 ' O ' HG23 ' A' ' 53' ' ' THR . 1.7 p30 -91.47 37.22 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' ASP . . . 33.88 76.41 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 51' ' ' ASP . 59.0 p -136.57 138.34 41.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 111.125 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.54 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 86.9 mt -57.45 175.4 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 54' ' ' LEU . 68.3 m-70 -166.82 126.0 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.895 0.378 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 45' ' ' SER . 14.5 m-85 -107.77 155.78 19.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.509 HG13 HG13 ' A' ' 44' ' ' VAL . 1.8 pt -142.69 165.32 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.9 mt -102.83 114.29 28.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.638 ' HG3' HG22 ' A' ' 24' ' ' THR . 2.1 ttt-85 -97.41 114.35 26.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 t -69.75 165.93 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -118.91 -52.72 2.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.97 -19.78 1.1 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.566 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 22.8 p -134.95 -26.43 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 75.04 42.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.4 tppp? -111.97 142.26 44.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.638 HG22 ' HG3' ' A' ' 17' ' ' ARG . 44.8 p -102.09 136.83 41.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 25' ' ' THR . 12.4 t -133.03 126.12 31.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -66.87 90.13 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.456 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 6.3 t0 -175.46 135.99 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mmm -115.3 21.85 13.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -134.45 -35.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.456 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 70.0 mtt-85 -46.61 123.13 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.786 HG13 ' CD2' ' A' ' 32' ' ' PHE . 9.9 p -90.24 -17.92 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.786 ' CD2' HG13 ' A' ' 31' ' ' VAL . 89.8 m-85 -117.09 157.66 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 14.4 t -95.7 159.2 15.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.417 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -93.29 -43.68 3.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.461 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 2.4 t60 -59.0 -61.96 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 25.3 p -107.52 -48.62 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.421 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 99.38 83.83 1.75 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -117.53 152.84 34.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.427 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 26.5 mtpt -89.99 12.81 16.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 40' ' ' THR . 3.0 t -138.87 115.95 10.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.192 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.4 mt -124.59 139.76 53.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.8 132.57 45.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -77.18 138.19 39.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.509 HG13 HG13 ' A' ' 15' ' ' ILE . 2.7 p -143.19 140.4 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.576 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 83.0 p -86.59 146.01 26.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.594 HG12 ' HG3' ' A' ' 56' ' ' MET . 20.5 m -142.93 134.85 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.1 m -90.6 151.37 21.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.8 mm -116.11 135.59 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -106.51 155.28 19.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.55 -50.5 4.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.47 -44.51 96.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.26 72.35 0.42 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.2 p -127.01 161.75 27.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 111.102 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.2 mt -114.1 139.92 48.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -129.72 106.12 8.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.594 ' HG3' HG12 ' A' ' 46' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.899 0.38 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.459 ' CZ ' ' OG ' ' A' ' 45' ' ' SER . 3.9 m-85 -109.48 156.54 19.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.422 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.6 pp -139.19 158.89 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -99.4 113.13 25.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' HG3' HG22 ' A' ' 24' ' ' THR . 37.5 ttt180 -102.13 110.64 22.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.94 177.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 21' ' ' CYS . 65.3 t-80 -117.93 -70.79 0.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.91 -24.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.636 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 29.3 p -127.94 -4.95 5.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.586 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 48.3 p90 47.29 38.53 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.553 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 1.8 mmmp? -95.44 179.81 5.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.503 HG22 ' HG3' ' A' ' 17' ' ' ARG . 62.6 p -136.08 149.28 48.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 25' ' ' THR . 14.9 t -147.03 115.07 6.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.458 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 2.8 m -62.51 91.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.501 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.2 m-20 -176.05 110.1 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.3 mmt -91.22 29.67 1.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -135.01 -37.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.501 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 39.9 mtt-85 -59.59 144.75 46.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 p -116.79 -15.93 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.626 ' CE1' ' HG3' ' A' ' 39' ' ' LYS . 24.1 m-85 -102.87 172.33 6.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.8 t -117.22 153.9 32.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.13 -45.34 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.636 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 31.3 t60 -48.66 -70.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 19.2 p -93.09 -47.3 7.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 116.07 25.83 3.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.542 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -64.05 156.07 29.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.626 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 5.0 ttpt -104.02 10.06 36.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 40' ' ' THR . 5.8 t -138.04 127.42 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.1 mt -119.82 146.43 45.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -105.45 117.64 34.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -70.07 137.2 51.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.3 p -142.2 152.44 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.459 ' OG ' ' CZ ' ' A' ' 14' ' ' TYR . 1.4 m -90.63 133.36 35.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.2 m -136.1 121.83 29.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.1 m -85.7 147.17 26.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.4 mm -108.12 109.16 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.074 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' ASP . 1.4 t30 -84.62 154.45 22.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' ASN . 10.1 m-20 -38.09 -60.0 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -48.07 -49.73 30.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.47 49.4 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.525 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.6 p -114.19 155.2 26.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 111.125 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 35.4 mt -102.03 144.7 30.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -125.54 104.09 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.7 mmt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.3 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.882 0.372 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 45' ' ' SER . 6.6 m-85 -125.39 152.76 44.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.481 ' CD1' ' HG3' ' A' ' 17' ' ' ARG . 2.3 pp -138.08 160.4 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 43' ' ' LYS . 40.0 mt -102.43 115.76 31.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.66 ' HD3' HG11 ' A' ' 44' ' ' VAL . 19.2 mtp180 -99.34 98.49 9.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.1 t -46.07 170.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.562 ' NE2' ' CG2' ' A' ' 40' ' ' THR . 31.7 p80 -118.93 -50.81 2.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.483 ' N ' ' CG ' ' A' ' 19' ' ' HIS . . . -53.94 -20.67 14.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.634 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 28.5 p -133.52 -17.82 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 7.8 m-85 65.26 36.2 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -100.6 167.87 10.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.449 HG22 ' CG ' ' A' ' 17' ' ' ARG . 17.0 p -119.09 142.01 48.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.512 ' O ' HG23 ' A' ' 25' ' ' THR . 8.2 t -137.04 122.97 20.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.4 p -64.29 89.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -175.03 154.35 1.8 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.7 mmt -131.01 8.74 4.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -132.66 32.56 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.482 ' O ' HD12 ' A' ' 41' ' ' LEU . 33.7 mtt-85 -97.91 141.45 30.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.4 p -119.59 -5.65 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.583 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 3.7 m-85 -145.09 132.99 21.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 10.9 t -87.62 158.79 18.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.416 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.67 -43.95 1.74 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.634 ' CD2' ' CB ' ' A' ' 21' ' ' CYS . 6.8 t60 -43.42 -62.03 1.19 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.96 -48.52 3.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.39 68.57 0.61 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.413 ' OD1' ' CE1' ' A' ' 19' ' ' HIS . 1.8 m-80 -121.21 153.92 36.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.583 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 5.4 ttmt -99.73 9.92 42.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 40' ' ' THR . 6.0 t -125.24 113.27 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.545 HD13 HD13 ' A' ' 16' ' ' LEU . 96.4 mt -110.95 149.04 31.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.452 ' HD3' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -112.65 114.05 26.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.596 ' HA ' HD23 ' A' ' 16' ' ' LEU . 23.8 tttt -73.93 136.4 43.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.66 HG11 ' HD3' ' A' ' 17' ' ' ARG . 3.9 p -142.31 150.37 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.126 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 85.7 p -92.11 153.78 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.521 HG12 ' HG3' ' A' ' 56' ' ' MET . 14.3 m -137.94 128.78 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.7 m -87.56 153.61 21.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.3 mp -91.18 128.94 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.477 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 28.6 t-20 -105.53 155.47 19.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 49' ' ' ASN . 76.5 m-20 -34.07 -63.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -64.68 -40.35 95.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.79 28.5 3.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.45 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 54' ' ' LEU . 2.6 m -79.46 164.59 23.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 111.156 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.422 ' N ' HG22 ' A' ' 53' ' ' THR . 25.6 mt -76.46 125.07 28.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 49' ' ' ASN . 80.2 m-70 -133.83 113.72 12.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.521 ' HG3' HG12 ' A' ' 46' ' ' VAL . 2.7 mpt? . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -115.01 156.43 25.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.433 ' CD1' ' CG1' ' A' ' 44' ' ' VAL . 2.5 pp -140.28 164.78 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.761 HD13 HD13 ' A' ' 41' ' ' LEU . 96.3 mt -100.49 113.94 27.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.524 ' HB2' HG11 ' A' ' 44' ' ' VAL . 18.2 ttp180 -101.25 94.94 6.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 t -49.05 168.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -116.3 -53.41 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.34 -19.93 2.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.52 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.591 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 28.2 p -131.86 -16.96 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 28.2 m-85 63.94 31.57 13.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -101.01 167.81 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.7 p -122.71 144.87 48.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 25' ' ' THR . 15.1 t -138.82 120.98 15.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.5 p -65.34 88.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -176.9 112.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 74.4 mmm -94.52 26.46 3.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -133.03 -35.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -54.5 123.39 12.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.457 HG13 ' CD2' ' A' ' 32' ' ' PHE . 11.1 p -97.01 -12.73 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.65 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 20.5 m-85 -117.9 157.41 26.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.0 t -114.2 153.82 28.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.38 -38.52 2.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.591 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 3.2 t-160 -46.48 -54.6 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 110.829 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.7 p -116.16 -48.08 2.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.34 72.22 0.72 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -124.63 155.44 39.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.65 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 1.4 ttpt -99.33 5.28 46.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 40' ' ' THR . 5.1 t -123.19 116.62 23.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.761 HD13 HD13 ' A' ' 16' ' ' LEU . 81.2 mt -117.6 138.24 52.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -98.71 122.84 42.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -74.87 136.43 41.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.524 HG11 ' HB2' ' A' ' 17' ' ' ARG . 3.6 p -142.29 148.61 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -82.61 161.62 22.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.6 m -154.73 118.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.2 m -107.5 143.06 36.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.493 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.5 mp -94.74 111.38 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -77.21 152.41 34.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -43.79 -49.32 8.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.83 -43.62 98.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.43 68.16 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.7 p -138.83 162.61 34.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.847 0.356 . . . . 0.0 111.137 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.2 mp -98.23 159.39 14.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -135.56 115.87 13.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 41.5 mtt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.877 0.37 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 5.2 m-85 -119.68 153.26 35.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.406 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.4 pp -140.11 162.86 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.4 mt -99.18 112.13 24.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.472 ' HG3' HG22 ' A' ' 24' ' ' THR . 44.5 ttt85 -96.71 116.78 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.5 t -69.67 163.53 25.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -115.85 -51.64 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.806 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -43.66 -26.53 0.73 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.477 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 30.2 p -129.43 -16.47 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.912 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 7.5 m-85 65.72 54.84 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' HD2' ' ND1' ' A' ' 35' ' ' HIS . 5.8 mtpm? -124.78 179.55 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.472 HG22 ' HG3' ' A' ' 17' ' ' ARG . 45.4 p -129.71 147.84 51.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.175 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.2 t -142.82 136.33 28.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 37.3 p -78.04 89.17 4.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 26' ' ' SER . 3.7 m-20 -175.78 120.84 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 14' ' ' TYR . 74.3 mmm -101.39 23.19 11.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -134.93 -35.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.0 mtt-85 -44.34 139.55 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.771 HG13 ' HD1' ' A' ' 32' ' ' PHE . 4.3 p -112.05 -15.18 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.771 ' HD1' HG13 ' A' ' 31' ' ' VAL . 5.7 m-85 -123.81 127.06 47.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.2 t -62.25 155.35 24.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.74 -42.1 3.95 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 51.6 t60 -58.4 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 27.3 p -104.65 -48.84 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.412 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 106.54 90.96 2.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -125.97 149.16 48.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.876 0.369 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.694 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 27.1 mtpt -91.35 6.61 44.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 40' ' ' THR . 5.0 t -135.17 113.95 11.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -119.46 135.4 54.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.85 123.07 36.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -73.43 136.42 44.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.8 p -143.1 146.08 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 96.4 p -83.18 154.04 24.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.4 m -152.97 133.21 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.3 m -88.88 142.39 27.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.4 mm -105.82 100.26 10.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -68.17 151.86 46.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -40.75 -46.78 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -63.88 -45.25 90.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.61 57.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.7 p -125.48 163.22 23.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mp -109.57 156.21 20.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -144.92 106.31 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.1 mtt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.482 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 14.5 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.878 0.371 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.577 ' CZ ' ' CB ' ' A' ' 45' ' ' SER . 4.7 m-85 -108.63 164.56 12.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.587 HG13 HG13 ' A' ' 44' ' ' VAL . 4.9 pt -140.64 169.87 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.67 HD13 ' CD1' ' A' ' 41' ' ' LEU . 91.9 mt -108.56 115.52 30.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.755 ' HD3' HG11 ' A' ' 44' ' ' VAL . 11.7 mtp-105 -97.79 106.43 18.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 t -61.74 165.67 4.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -116.16 -53.51 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.87 -18.33 1.06 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.434 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.522 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 32.1 p -133.53 -20.73 2.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 68.84 32.78 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -99.43 166.25 11.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.675 HG22 ' HG2' ' A' ' 17' ' ' ARG . 70.3 p -121.97 136.18 54.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.171 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.467 ' O ' HG23 ' A' ' 25' ' ' THR . 12.8 t -130.7 125.45 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.181 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.4 t -68.23 89.12 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.2 t0 -176.27 129.46 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.458 ' HE3' ' HB3' ' A' ' 14' ' ' TYR . 8.8 mmt -108.48 22.43 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -132.74 -37.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 15.8 mtt-85 -46.49 125.79 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.706 HG13 ' CD1' ' A' ' 32' ' ' PHE . 10.5 p -94.01 -16.36 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.706 ' CD1' HG13 ' A' ' 31' ' ' VAL . 33.6 m-85 -114.16 177.82 4.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.1 t -123.14 158.12 31.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.822 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -102.16 -42.81 2.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.522 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 2.8 t-160 -48.44 -61.83 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.403 ' SG ' ' OD1' ' A' ' 38' ' ' ASN . 29.4 p -107.11 -48.35 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 33' ' ' CYS . . . 116.14 31.67 1.83 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.528 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.403 ' OD1' ' SG ' ' A' ' 36' ' ' CYS . 6.4 m120 -70.72 155.16 41.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.597 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 4.7 ttpt -100.38 -0.91 37.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 40' ' ' THR . 6.5 t -123.77 120.17 31.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.67 ' CD1' HD13 ' A' ' 16' ' ' LEU . 43.5 mt -116.21 141.77 47.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.74 128.88 47.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.503 ' HE2' ' CD2' ' A' ' 14' ' ' TYR . 21.6 tttm -76.98 138.07 39.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.755 HG11 ' HD3' ' A' ' 17' ' ' ARG . 2.2 p -138.79 146.53 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.577 ' CB ' ' CZ ' ' A' ' 14' ' ' TYR . 74.8 p -93.91 140.83 29.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 13' ' ' SER . 6.9 m -135.92 150.95 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.0 m -107.8 149.38 28.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.6 mm -108.6 105.11 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.171 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -75.7 155.36 35.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.97 -35.85 5.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 27.7 t70 -84.81 33.76 0.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 39.58 77.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 51' ' ' ASP . 40.1 p -138.33 160.83 38.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 111.14 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.5 mp -111.39 135.42 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -128.54 108.41 10.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.584 ' HB3' ' HE3' ' A' ' 28' ' ' MET . 5.4 m-85 -122.08 152.87 39.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.444 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.5 pp -132.63 170.73 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.426 ' CD1' ' O ' ' A' ' 30' ' ' ARG . 85.4 mt -106.41 113.97 27.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HG3' HG22 ' A' ' 24' ' ' THR . 14.6 ttt85 -101.22 124.45 46.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.7 t -77.63 174.63 10.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -118.72 -68.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.44 -34.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.619 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 30.6 p -115.01 -31.7 5.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.896 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 t80 74.96 43.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HG2' ' ND1' ' A' ' 35' ' ' HIS . 1.8 mptp? -114.37 153.25 30.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.485 HG22 ' HG3' ' A' ' 17' ' ' ARG . 71.1 p -109.55 141.61 41.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.471 ' O ' HG23 ' A' ' 25' ' ' THR . 13.2 t -133.71 125.96 29.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.457 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 79.7 p -61.52 90.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.457 ' CG ' ' O ' ' A' ' 26' ' ' SER . 5.2 m-20 -175.05 109.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.584 ' HE3' ' HB3' ' A' ' 14' ' ' TYR . 4.8 mmt -93.25 21.59 5.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -135.03 -35.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.426 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 56.6 mtt180 -55.67 139.06 46.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.547 HG13 ' CD1' ' A' ' 32' ' ' PHE . 7.2 p -107.27 -16.87 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.609 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 38.6 m-85 -102.23 169.17 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 11.7 t -112.8 160.18 18.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.447 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -102.88 -47.5 1.35 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.619 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 15.9 t60 -47.69 -68.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.828 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 23.0 p -96.63 -47.42 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 115.26 26.67 3.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -61.88 155.58 23.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.404 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.609 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -102.35 13.97 33.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 40' ' ' THR . 8.2 t -141.15 129.13 21.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.215 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.433 ' C ' ' HE2' ' A' ' 42' ' ' LYS . 89.8 mt -126.0 135.86 52.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.433 ' HE2' ' C ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -93.81 121.91 35.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.429 ' HE3' ' CD2' ' A' ' 14' ' ' TYR . 15.8 ttpt -69.47 131.97 45.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.5 p -141.45 147.29 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 87.4 p -86.19 160.62 19.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 45' ' ' SER . 35.6 m -158.06 129.14 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -98.81 157.16 16.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.3 mp -106.44 94.1 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' ASP . 5.6 t-20 -78.93 153.71 30.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 50' ' ' ASP . 20.8 t0 -37.44 -59.27 0.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.85 -44.05 97.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.92 65.46 0.38 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.453 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.1 p -116.21 157.3 25.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 111.168 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.0 mt -109.42 95.68 5.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -76.53 111.08 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 48.3 mtt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.546 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 8.3 m-85 -127.79 151.82 48.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.509 HD13 ' HB ' ' A' ' 24' ' ' THR . 2.7 pp -140.51 166.77 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.548 HD13 HD13 ' A' ' 41' ' ' LEU . 74.1 mt -101.77 112.47 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.619 ' HG3' HG22 ' A' ' 24' ' ' THR . 15.2 ttm180 -101.14 100.21 10.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -58.04 168.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -115.52 -53.09 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.11 -17.36 0.95 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.594 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 28.0 p -134.67 -27.15 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 t80 75.0 33.22 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -102.68 157.68 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.619 HG22 ' HG3' ' A' ' 17' ' ' ARG . 72.5 p -118.58 139.62 51.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.3 t -132.34 126.21 32.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 3.1 m -70.43 88.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 26' ' ' SER . 11.1 m-20 -175.06 133.76 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.4 mmt -112.14 30.11 7.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -135.0 -38.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.6 mtt-85 -47.67 123.82 6.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.82 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.514 HG13 ' CD2' ' A' ' 32' ' ' PHE . 8.1 p -97.36 -14.16 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.625 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 13.3 m-85 -122.48 151.82 40.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.413 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 8.5 t -97.55 154.58 17.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.76 -43.09 2.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.594 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 3.1 t-160 -45.75 -62.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.9 p -106.78 -48.26 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 33' ' ' CYS . . . 115.75 35.69 1.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -79.56 156.68 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.625 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 2.1 tttt -103.78 1.73 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 40' ' ' THR . 10.4 t -123.24 120.25 32.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.548 HD13 HD13 ' A' ' 16' ' ' LEU . 71.4 mt -120.58 141.3 50.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.0 117.77 34.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HD3' ' CD2' ' A' ' 14' ' ' TYR . 7.9 ttmt -72.01 134.06 45.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.496 HG21 ' NH2' ' A' ' 17' ' ' ARG . 6.8 p -141.27 147.34 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 52.3 p -86.66 151.7 23.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 m -140.59 123.85 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.5 m -97.13 150.9 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.503 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.5 mp -109.67 107.72 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -74.05 154.19 39.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.89 -57.98 2.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -52.38 -49.14 65.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.51 68.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.4 p -136.58 147.76 47.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.148 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.2 mt -99.16 99.13 10.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -84.58 133.73 34.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.423 ' HB3' ' NH2' ' A' ' 17' ' ' ARG . 65.8 mtt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.874 0.369 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.54 ' CD2' ' HE3' ' A' ' 43' ' ' LYS . 4.8 m-85 -117.8 155.39 30.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.596 HG13 HG13 ' A' ' 44' ' ' VAL . 2.8 pt -133.61 165.09 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' A' ' 41' ' ' LEU . 94.7 mt -99.41 112.85 24.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.673 ' HG3' HG22 ' A' ' 24' ' ' THR . 30.0 ttp180 -103.82 103.36 13.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 t -44.03 167.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.451 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 9.1 p-80 -120.22 -41.66 2.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.4 ' N ' ' CG ' ' A' ' 19' ' ' HIS . . . -61.08 -23.6 61.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.511 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -130.51 -11.21 4.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 63.97 36.5 10.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 24' ' ' THR . 3.8 tppp? -102.06 147.79 26.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.673 HG22 ' HG3' ' A' ' 17' ' ' ARG . 20.9 p -106.34 143.33 34.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 t -142.82 134.36 26.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -70.83 89.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.441 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.3 t0 -175.44 133.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.5 mmt -114.09 20.58 15.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -134.35 -37.17 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.536 ' O ' HD12 ' A' ' 41' ' ' LEU . 64.7 mtt-85 -45.68 130.42 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.568 HG13 ' CD2' ' A' ' 32' ' ' PHE . 15.0 p -104.69 -13.17 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.568 ' CD2' HG13 ' A' ' 31' ' ' VAL . 80.8 m-85 -117.26 143.73 45.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.2 t -91.87 161.32 14.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.81 -50.41 1.65 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -52.05 -59.16 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 20.7 p -109.47 -47.95 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 98.45 89.38 1.94 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -126.26 151.95 46.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -90.14 5.48 46.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 40' ' ' THR . 3.7 t -132.72 113.44 12.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 30' ' ' ARG . 85.9 mt -109.67 140.32 43.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -95.61 121.47 37.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.54 ' HE3' ' CD2' ' A' ' 14' ' ' TYR . 10.5 ttpt -71.21 137.43 48.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.596 HG13 HG13 ' A' ' 15' ' ' ILE . 2.1 p -141.95 144.97 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 98.1 p -83.95 161.5 20.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.42 HG12 ' CG ' ' A' ' 56' ' ' MET . 20.0 m -154.54 135.79 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.4 m -99.1 146.63 25.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.4 mm -109.99 143.96 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' ASP . 3.1 t30 -125.13 152.39 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' ASN . 6.5 t70 -37.25 -50.41 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.806 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.29 -42.51 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.812 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.81 81.23 1.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.8 p -128.34 156.16 43.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.834 0.35 . . . . 0.0 111.089 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.7 mt -105.68 110.08 22.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -111.68 103.53 11.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.42 ' CG ' HG12 ' A' ' 46' ' ' VAL . 9.4 mtt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.861 0.362 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 5.4 m-85 -100.14 164.0 12.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.614 HD13 ' HB ' ' A' ' 24' ' ' THR . 2.2 pp -152.64 161.11 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.701 HD13 ' CD1' ' A' ' 41' ' ' LEU . 79.5 mt -100.34 114.01 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.688 ' HG3' HG22 ' A' ' 24' ' ' THR . 51.8 ttt-85 -98.95 99.55 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 22' ' ' PHE . 51.6 t -57.23 164.8 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -116.43 -50.59 2.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.68 -32.87 1.42 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 29.4 p -126.43 -20.13 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.872 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 47.4 m-85 72.81 49.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.574 ' HE3' ' CE1' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -118.61 157.31 27.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.688 HG22 ' HG3' ' A' ' 17' ' ' ARG . 33.2 p -116.18 145.65 42.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 25' ' ' THR . 14.4 t -142.82 128.65 19.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 49.7 p -66.32 89.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.467 ' CG ' ' O ' ' A' ' 26' ' ' SER . 8.9 m-20 -175.96 158.56 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.553 ' HE2' ' HG ' ' A' ' 16' ' ' LEU . 8.4 mmt -134.78 27.04 3.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 30' ' ' ARG . 9.0 m-20 -134.63 -40.15 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.473 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -32.64 114.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.929 HG13 ' CD2' ' A' ' 32' ' ' PHE . 7.7 p -91.93 -9.2 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.929 ' CD2' HG13 ' A' ' 31' ' ' VAL . 59.9 m-85 -139.26 104.98 5.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 32' ' ' PHE . 41.2 t -35.77 153.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -91.61 -43.64 4.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.574 ' CE1' ' HE3' ' A' ' 23' ' ' LYS . 18.7 t60 -58.68 -66.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 23.7 p -104.23 -48.73 3.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 108.82 96.13 2.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -126.11 150.89 47.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 110.916 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.451 ' CG ' ' CE1' ' A' ' 32' ' ' PHE . 32.3 mtpt -92.91 6.35 48.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 40' ' ' THR . 5.2 t -137.31 115.13 11.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.701 ' CD1' HD13 ' A' ' 16' ' ' LEU . 50.4 mt -116.32 134.68 54.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -98.31 116.46 30.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -70.83 134.76 47.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.9 p -142.84 141.78 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.151 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 90.2 p -84.97 146.94 26.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.419 HG12 ' HG2' ' A' ' 56' ' ' MET . 15.0 m -137.99 116.23 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.3 m -88.36 143.79 26.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.8 mp -97.84 150.92 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' ASP . 24.1 t-20 -125.92 153.59 44.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' ASN . 1.2 m-20 -37.66 -60.76 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.53 -44.06 93.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.93 71.6 0.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.5 p -129.98 145.17 51.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.809 0.338 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.2 mt -82.35 152.34 26.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -127.53 82.29 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.586 ' HE3' HD11 ' A' ' 15' ' ' ILE . 25.1 mtp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 9.7 m-85 -106.44 160.2 15.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.453 HG13 HG13 ' A' ' 44' ' ' VAL . 1.5 pt -143.08 162.79 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.471 HD13 HD13 ' A' ' 41' ' ' LEU . 93.0 mt -99.82 115.28 29.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' HB2' HG11 ' A' ' 44' ' ' VAL . 52.9 ttt-85 -97.5 123.21 41.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.6 t -77.55 168.78 19.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.553 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 56.0 t-80 -106.29 -73.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.59 -68.18 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.563 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 17.7 p -76.23 -29.15 57.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 19' ' ' HIS . 61.4 m-85 66.2 43.49 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.414 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 43.1 mmtt -108.85 150.81 27.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.7 p -108.13 137.33 46.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.155 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.9 t -133.37 131.93 40.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 28.6 t -73.48 90.02 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.467 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.3 m-20 -175.49 109.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 81.3 mmm -93.34 27.22 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -134.98 -34.08 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.467 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 44.1 mtt180 -51.84 141.37 17.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.749 HG13 ' CD2' ' A' ' 32' ' ' PHE . 14.7 p -109.76 -15.81 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.749 ' CD2' HG13 ' A' ' 31' ' ' VAL . 57.4 m-85 -120.54 110.36 16.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.41 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 14.7 t -37.96 157.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -86.46 -45.61 5.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 44.3 t60 -61.64 -74.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 24.4 p -90.62 -48.7 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 97.3 84.57 1.75 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -114.3 155.21 26.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.904 0.383 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -86.27 7.76 24.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 40' ' ' THR . 4.8 t -134.16 114.15 12.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.471 HD13 HD13 ' A' ' 16' ' ' LEU . 83.8 mt -123.22 134.01 54.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -95.18 123.92 38.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -72.41 135.92 45.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.503 HG11 ' HB2' ' A' ' 17' ' ' ARG . 2.6 p -142.23 143.1 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.146 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 68.0 p -85.26 148.88 25.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.4 HG21 HD22 ' A' ' 54' ' ' LEU . 28.1 m -146.37 147.96 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -109.9 154.4 23.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.4 mm -105.76 96.73 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -82.13 155.37 25.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.18 -36.03 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.75 ' O ' HG23 ' A' ' 53' ' ' THR . 23.3 t0 -83.64 35.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 51' ' ' ASP . . . 32.73 60.73 0.39 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.498 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 51' ' ' ASP . 30.7 p -126.91 157.45 39.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.155 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.4 HD22 HG21 ' A' ' 46' ' ' VAL . 9.3 mt -110.03 147.27 33.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -113.1 132.87 55.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.869 0.366 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 6.4 m-85 -134.9 149.84 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.556 HD13 ' HB ' ' A' ' 24' ' ' THR . 2.1 pp -137.73 163.75 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.152 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.2 mt -99.87 114.23 27.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.625 ' HG3' HG22 ' A' ' 24' ' ' THR . 18.5 ttt85 -104.68 115.35 30.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.408 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.8 t -59.48 -179.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -116.39 -70.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.89 -26.4 1.17 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.52 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 26.6 p -125.2 3.36 7.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' CYS . 20.7 p90 36.39 32.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 6.3 tptm -87.5 165.67 15.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.625 HG22 ' HG3' ' A' ' 17' ' ' ARG . 16.7 p -123.54 146.64 47.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.4 t -141.07 130.5 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.459 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 64.3 p -68.15 88.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.462 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.6 m-20 -177.22 141.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.426 ' CE ' ' HG3' ' A' ' 43' ' ' LYS . 64.0 mmm -121.87 21.72 10.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -131.98 -34.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.462 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 49.5 mtt-85 -50.67 147.93 4.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.817 HG13 ' HD1' ' A' ' 32' ' ' PHE . 5.7 p -118.17 -17.69 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.817 ' HD1' HG13 ' A' ' 31' ' ' VAL . 2.9 m-85 -109.74 154.38 23.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.454 ' HB3' ' CA ' ' A' ' 37' ' ' GLY . 17.3 t -98.17 149.19 22.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.01 -44.29 7.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -60.4 -74.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 19.9 p -95.73 -47.63 6.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.454 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . . . 102.08 95.45 2.27 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -127.08 139.33 53.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.917 0.389 . . . . 0.0 110.83 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.647 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 37.2 mttt -80.29 -0.47 36.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 40' ' ' THR . 6.5 t -127.66 112.36 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.5 mt -114.07 135.87 53.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -96.97 120.21 36.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.426 ' HG3' ' CE ' ' A' ' 28' ' ' MET . 18.6 ttmt -73.59 137.58 44.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 45' ' ' SER . 2.6 p -142.13 150.19 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 24.4 p -84.48 161.32 20.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.4 m -150.06 130.38 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.3 m -85.5 152.47 23.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.486 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.6 mp -106.21 139.16 28.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -116.16 153.7 31.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -38.58 -52.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.35 -42.72 87.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.19 47.78 0.8 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.6 p -108.1 137.76 45.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 111.113 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.547 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 7.4 mt -70.95 162.26 29.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 54' ' ' LEU . 91.9 m-70 -164.49 120.76 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.58 ' O ' HG22 ' A' ' 46' ' ' VAL . 3.4 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 3.5 m-30 -101.67 155.56 18.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.467 HD11 ' CE ' ' A' ' 56' ' ' MET . 2.2 pt -139.42 179.29 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.111 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.617 HD13 HD13 ' A' ' 41' ' ' LEU . 13.5 mt -116.59 112.9 21.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.457 ' HD3' ' HE2' ' A' ' 56' ' ' MET . 26.2 ttp180 -100.34 89.74 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.1 t -49.17 166.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -113.69 -51.8 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.09 -17.79 0.68 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.595 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 24.8 p -133.97 -27.49 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.5 t80 74.81 30.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -109.74 153.83 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.7 p -100.7 147.63 25.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.533 ' O ' HG23 ' A' ' 25' ' ' THR . 5.5 t -135.76 121.62 19.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.432 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 47.5 p -61.48 89.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 26' ' ' SER . 13.2 m-20 -175.09 153.78 1.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.847 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.9 mmt -130.99 6.3 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -134.95 32.2 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.817 ' O ' HD12 ' A' ' 41' ' ' LEU . 30.9 mtt-85 -109.63 111.31 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.658 HG13 ' CD2' ' A' ' 32' ' ' PHE . 9.0 p -82.8 -11.49 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.658 ' CD2' HG13 ' A' ' 31' ' ' VAL . 30.5 m-85 -120.04 175.46 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.0 t -124.9 158.24 34.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.07 -44.56 1.73 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.595 ' CD2' ' CB ' ' A' ' 21' ' ' CYS . 6.7 t60 -47.33 -64.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.2 p -101.78 -47.92 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.29 31.18 2.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.462 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.589 ' OD1' HG22 ' A' ' 40' ' ' THR . 0.8 OUTLIER -73.27 155.84 39.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.872 -179.874 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.584 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 9.5 tttm -101.89 23.26 11.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.589 HG22 ' OD1' ' A' ' 38' ' ' ASN . 5.2 t -148.76 130.18 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.817 HD12 ' O ' ' A' ' 30' ' ' ARG . 51.4 mt -127.17 145.47 50.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -108.25 114.18 27.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -70.03 137.73 51.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.3 p -143.21 148.11 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 24.6 p -92.75 155.72 17.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 13' ' ' SER . 8.2 m -137.47 123.17 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.1 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.0 m -95.9 141.17 29.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.494 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.6 mp -94.42 127.99 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -105.25 154.43 20.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -40.94 -52.67 3.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.39 -48.04 77.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.18 38.95 0.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 55.8 p -105.42 162.46 13.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 0.0 111.124 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.0 mt -112.91 118.58 35.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -88.5 102.16 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.491 ' HG2' HG12 ' A' ' 46' ' ' VAL . 47.8 mtp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.872 0.367 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.592 ' CD2' ' HE2' ' A' ' 43' ' ' LYS . 6.7 m-85 -115.48 171.56 7.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.448 HG23 ' C ' ' A' ' 14' ' ' TYR . 2.1 pp -158.62 163.43 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -101.18 113.4 26.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 17' ' ' ARG . 34.9 ttt180 -101.28 104.86 15.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 t -55.37 161.14 2.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.402 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 24.3 t-80 -117.09 -51.75 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.02 -23.73 1.19 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.628 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 29.8 p -130.12 -14.41 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.884 0.373 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 76.8 m-85 63.8 53.12 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.432 ' HG3' ' ND1' ' A' ' 35' ' ' HIS . 23.3 mmtt -126.89 152.74 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.9 p -108.53 145.1 35.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.5 t -141.99 136.47 30.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 73.3 p -83.55 88.51 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 26' ' ' SER . 6.6 m-20 -176.42 105.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.4 mtp -88.28 19.81 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -134.61 28.26 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.461 ' O ' HD12 ' A' ' 41' ' ' LEU . 14.8 mtt180 -110.2 111.88 23.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 7.9 p -79.82 -10.84 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 4.7 m-85 -138.17 148.09 44.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.7 t -85.1 159.01 20.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -98.33 -37.85 4.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.628 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 18.0 t60 -56.44 -62.25 1.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 0.0 110.834 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.6 p -103.3 -51.72 3.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 33' ' ' CYS . . . 109.41 70.39 0.66 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -121.87 141.21 51.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.902 0.382 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -83.2 10.78 7.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 40' ' ' THR . 3.6 t -123.58 117.16 24.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 30' ' ' ARG . 70.8 mt -125.21 138.94 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -100.45 124.7 46.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.592 ' HE2' ' CD2' ' A' ' 14' ' ' TYR . 70.3 tttt -75.46 134.89 40.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -144.22 140.68 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 81.2 p -84.52 143.54 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.805 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.515 HG12 ' HG2' ' A' ' 56' ' ' MET . 19.4 m -141.69 117.64 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.8 m -98.29 144.05 28.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.534 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.3 mp -94.63 144.85 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -112.66 153.01 28.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -43.0 -46.69 5.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.89 -42.92 89.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.17 74.58 0.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.3 p -135.79 162.27 33.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 111.138 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 mp -105.8 116.41 31.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -101.32 99.54 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.515 ' HG2' HG12 ' A' ' 46' ' ' VAL . 30.9 mtt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 45' ' ' SER . 4.6 m-85 -117.32 153.14 33.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.458 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.3 pp -135.91 163.67 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.1 mt -107.01 115.14 29.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.625 ' CB ' HG22 ' A' ' 24' ' ' THR . 7.4 ptt-85 -108.96 126.21 52.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' LYS . 4.9 t -52.31 172.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 42' ' ' LYS . 1.3 m170 -109.43 -71.47 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.56 -69.56 0.47 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.596 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 29.5 p -68.42 -30.99 70.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.4 t80 75.03 45.52 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -105.75 172.78 6.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.625 HG22 ' CB ' ' A' ' 17' ' ' ARG . 40.6 p -128.6 157.16 42.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 25' ' ' THR . 7.7 t -152.75 125.1 8.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.7 p -68.6 89.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -175.74 149.99 1.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.5 mmm -124.09 23.9 8.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 30' ' ' ARG . 0.8 OUTLIER -129.11 -37.6 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' ASN . 40.8 mtt-85 -37.02 146.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -129.62 -6.12 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.613 ' CZ ' ' CG ' ' A' ' 39' ' ' LYS . 2.7 m-85 -141.62 134.96 29.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 10.5 t -82.53 157.01 23.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.401 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.02 -38.25 2.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.54 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.596 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 20.1 t60 -50.02 -57.22 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.9 p -110.82 -49.04 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.71 75.4 0.76 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -126.61 137.72 53.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.613 ' CG ' ' CZ ' ' A' ' 32' ' ' PHE . 6.3 tmtt? -87.28 9.11 21.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 40' ' ' THR . 14.1 t -127.41 110.38 12.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' C ' ' NE2' ' A' ' 19' ' ' HIS . 93.7 mt -104.36 172.72 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.571 ' HB2' ' CD2' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -127.84 128.18 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.818 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -77.98 129.68 35.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 p -141.31 137.82 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 34.6 t -82.94 148.6 27.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.468 HG12 ' HG3' ' A' ' 56' ' ' MET . 7.8 m -133.76 141.09 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -91.63 154.2 19.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 48' ' ' ILE . 5.0 mp -105.83 117.72 52.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ASP . 4.3 m120 -91.36 151.56 20.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -36.86 -68.61 0.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -54.37 -44.35 72.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.54 60.25 0.28 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.2 p -114.35 164.43 13.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.848 0.356 . . . . 0.0 111.121 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mp -94.5 141.89 28.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -145.95 109.47 4.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.468 ' HG3' HG12 ' A' ' 46' ' ' VAL . 8.4 mtt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.851 0.357 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 45' ' ' SER . 3.8 m-85 -111.48 163.49 13.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 pt -142.6 169.13 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.7 mt -109.27 112.86 25.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 ttp-105 -93.18 107.64 19.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.5 t -56.4 170.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.44 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 1.2 m170 -118.55 -52.29 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.97 -20.17 8.04 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.406 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 31.7 p -131.33 -23.92 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 71.62 35.49 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -103.51 169.02 8.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.447 HG21 ' HE1' ' A' ' 56' ' ' MET . 63.2 p -121.66 143.28 49.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 25' ' ' THR . 14.8 t -138.89 127.31 22.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -65.77 91.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -175.14 136.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.9 mmt -116.08 23.16 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -134.9 -37.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -43.5 138.59 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.9 p -115.93 -9.68 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.59 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 1.2 m-85 -131.03 138.22 49.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 13.0 t -85.54 158.89 20.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -101.56 -41.13 2.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.406 ' CD2' ' CB ' ' A' ' 21' ' ' CYS . 23.5 t60 -52.43 -61.81 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 31.4 p -106.5 -48.77 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.402 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 106.56 84.79 1.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.425 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 3.8 m-20 -126.36 140.55 52.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.884 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.59 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 2.7 tttm -87.61 7.11 31.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 40' ' ' THR . 2.2 t -133.85 117.29 16.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.148 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.8 mt -120.8 139.11 53.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.44 ' HG2' ' CE1' ' A' ' 19' ' ' HIS . 23.0 mmtt -96.83 127.6 42.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HE3' ' CD2' ' A' ' 14' ' ' TYR . 69.1 tttt -77.87 136.93 38.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.2 p -143.03 144.43 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 21.5 t -86.88 154.75 20.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.492 HG12 ' CG ' ' A' ' 56' ' ' MET . 17.4 m -143.39 156.62 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.1 m -118.75 141.55 48.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.3 mm -101.3 100.61 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -77.22 153.32 34.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -41.84 -49.27 4.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.85 -43.06 94.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.95 38.67 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 61.6 p -106.4 158.82 16.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 111.134 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.3 mt -103.14 163.72 12.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -129.75 82.02 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.492 ' CG ' HG12 ' A' ' 46' ' ' VAL . 21.2 mtp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -58.49 152.02 18.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.7 m -154.18 122.89 6.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.65 -163.01 37.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -168.94 137.39 2.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.354 . . . . 0.0 110.891 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.476 ' O ' ' C ' ' A' ' 7' ' ' GLY . 5.7 t -136.56 163.63 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -31.75 118.17 0.12 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.446 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 8' ' ' VAL . 7.5 p -106.92 121.77 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER -76.46 176.21 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -74.5 126.6 31.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -119.52 136.1 54.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.444 ' HB3' ' CE1' ' A' ' 14' ' ' TYR . 55.8 mmt-85 -120.41 87.15 2.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.423 ' O ' HG22 ' A' ' 46' ' ' VAL . 24.4 p -67.9 108.46 3.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 45' ' ' SER . 5.8 m-85 -123.2 174.55 7.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.521 HG13 HG13 ' A' ' 44' ' ' VAL . 2.5 pt -156.16 162.04 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.175 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.0 mt -102.79 116.89 33.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -104.31 113.75 27.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.4 t -63.42 176.82 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -117.43 -71.45 0.74 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.92 -35.5 0.38 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 35' ' ' HIS . 23.6 p -113.1 -32.41 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.916 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 t80 74.91 38.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -105.75 143.44 33.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.3 p -104.25 134.23 47.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 t -124.72 130.22 51.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -61.87 89.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.43 ' CG ' ' HG3' ' A' ' 30' ' ' ARG . 2.5 t0 -176.39 125.64 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 75.2 mmm -108.37 19.18 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.05 -35.21 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.43 ' HG3' ' CG ' ' A' ' 27' ' ' ASP . 35.5 mtp180 -48.39 150.69 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.607 HG13 ' HD1' ' A' ' 32' ' ' PHE . 6.9 p -118.33 -18.43 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.607 ' HD1' HG13 ' A' ' 31' ' ' VAL . 27.0 m-85 -108.92 168.24 9.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.8 t -115.22 158.98 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.42 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -104.37 -46.7 1.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.411 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.9 t-160 -44.1 -60.88 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.3 p -107.27 -47.48 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 33' ' ' CYS . . . 117.63 28.27 2.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -63.28 155.49 28.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.607 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 6.2 ttpt -103.97 15.91 27.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 40' ' ' THR . 12.6 t -144.74 129.9 18.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.9 mt -126.24 134.02 51.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.14 132.54 42.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -78.88 133.92 36.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.521 HG13 HG13 ' A' ' 15' ' ' ILE . 3.6 p -139.9 140.76 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.453 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 95.0 p -82.45 160.78 22.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 13' ' ' SER . 22.7 m -148.51 144.14 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.1 m -103.07 148.43 25.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.19 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.5 mm -112.45 142.54 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -121.23 153.33 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -42.1 -44.61 3.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -66.74 -44.15 82.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.53 67.15 0.51 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.9 p -127.8 160.93 30.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 111.182 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 66.4 mt -113.82 129.5 56.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -127.1 124.23 38.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -121.85 105.92 10.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -65.26 108.94 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -103.02 160.4 14.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.4 m -81.31 121.75 26.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -39.21 145.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -115.88 153.69 48.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 95.11 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.656 2.238 . . . . 0.0 112.392 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -110.19 84.57 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.7 m -56.04 174.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.612 HD21 ' NH2' ' A' ' 68' ' ' ARG . 27.6 tp -142.56 154.5 44.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.409 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 1.2 p-10 -107.32 157.66 35.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.587 0.708 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 148.08 64.5 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.397 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.612 ' NH2' HD21 ' A' ' 65' ' ' LEU . 4.1 mpt_? -94.52 170.19 9.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.37 -161.08 10.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.449 ' C ' HD12 ' A' ' 70' ' ' LEU . 4.6 pp -145.85 160.59 41.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -115.49 154.25 29.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -134.21 177.14 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 t -144.27 175.88 9.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.9 m -147.72 178.07 8.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.823 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.09 -165.14 13.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -175.23 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.728 2.285 . . . . 0.0 112.317 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 p -122.3 -53.98 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 93.8 p -174.71 179.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -104.39 121.28 43.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -81.97 -58.75 2.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.03 81.38 1.54 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -101.72 -50.11 3.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -112.51 117.06 31.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.78 74.37 0.35 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.554 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.0 t -101.11 140.51 19.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.814 0.34 . . . . 0.0 111.127 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -94.06 -53.51 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.43 ' CG ' ' HE ' ' A' ' 12' ' ' ARG . 6.2 tp10 -81.4 97.79 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.98 109.0 7.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.43 ' HE ' ' CG ' ' A' ' 10' ' ' GLU . 19.9 mmt180 -119.5 80.27 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.6 m -87.78 108.96 19.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 6.0 m-85 -104.63 154.16 20.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.951 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.412 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.5 pp -140.7 159.13 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.8 mt -100.48 113.61 26.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 18' ' ' CYS . 48.9 ttt180 -107.62 95.0 5.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 17' ' ' ARG . 8.3 t -43.01 166.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -115.93 -52.78 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.98 -18.62 1.17 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.557 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 28.3 p -133.4 -22.75 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 70.87 40.38 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.4 tptt -112.56 143.61 43.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.8 p -100.05 146.72 26.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 25' ' ' THR . 7.4 t -139.95 125.59 19.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.7 p -63.44 89.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CG ' ' HG3' ' A' ' 30' ' ' ARG . 3.4 t70 -175.6 147.87 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.9 mmt -125.83 9.73 7.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -134.96 32.47 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.866 ' O ' HD12 ' A' ' 41' ' ' LEU . 27.0 mtt180 -109.11 114.28 27.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.689 HG13 ' HD1' ' A' ' 32' ' ' PHE . 8.3 p -87.94 -9.79 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.689 ' HD1' HG13 ' A' ' 31' ' ' VAL . 5.5 m-85 -122.63 167.68 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.9 t -118.64 159.58 23.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -106.72 -47.52 1.03 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.538 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 2.7 t60 -42.84 -56.19 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.7 p -111.68 -47.02 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.72 25.95 2.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -68.39 155.34 40.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.597 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 14.4 tttm -106.27 20.59 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 40' ' ' THR . 11.5 t -145.3 125.35 13.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.866 HD12 ' O ' ' A' ' 30' ' ' ARG . 80.4 mt -121.56 142.95 49.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -106.25 116.31 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -68.84 133.29 48.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 p -140.88 141.73 31.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 85.1 p -83.44 153.08 24.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.443 HG12 ' HG3' ' A' ' 56' ' ' MET . 23.0 m -144.06 137.51 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 50.4 m -91.26 145.8 24.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.3 mm -104.48 95.14 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -71.73 154.9 41.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -40.9 -59.46 1.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -59.63 -43.54 93.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.33 78.12 0.74 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.3 p -137.02 157.12 47.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.144 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.7 mt -95.6 120.33 35.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -112.44 98.42 7.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.443 ' HG3' HG12 ' A' ' 46' ' ' VAL . 25.6 mtm -117.79 102.69 9.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -72.64 101.25 2.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -93.64 42.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 m -83.42 39.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -112.99 43.21 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -106.41 152.15 40.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.644 0.735 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -175.35 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.708 2.272 . . . . 0.0 112.327 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -100.32 -58.57 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.6 m -75.63 156.39 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.4 mt -114.3 149.98 35.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -62.57 149.86 87.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.589 0.709 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.89 8.57 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.286 . . . . 0.0 112.318 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -63.48 129.21 39.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.52 -124.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.647 ' H ' HD23 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -100.51 177.18 5.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.905 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -110.39 161.65 15.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -48.84 133.15 17.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.0 m -85.94 -61.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.6 t -173.95 167.86 4.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 76' ' ' PRO . . . -145.3 102.94 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.405 ' HD2' ' HA2' ' A' ' 75' ' ' GLY . 53.5 Cg_endo -69.79 161.4 46.08 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.644 2.229 . . . . 0.0 112.344 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.7 p -125.11 121.35 34.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.1 m -77.29 -60.56 2.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.2 p -171.86 135.27 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -125.67 142.82 51.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.55 116.69 5.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.455 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -79.96 45.09 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.919 0.39 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -69.48 -55.38 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.94 -136.99 4.56 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.8 p -114.6 140.55 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 111.109 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -162.98 144.71 10.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -90.2 126.79 35.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -108.09 121.52 44.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -136.26 153.09 51.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 m -105.36 113.44 27.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.586 ' CD2' ' HE2' ' A' ' 43' ' ' LYS . 10.0 m-85 -109.05 172.0 7.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.464 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.4 pp -158.32 159.67 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.605 HD13 ' CD1' ' A' ' 41' ' ' LEU . 77.9 mt -99.5 115.99 30.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.431 ' HG3' HG22 ' A' ' 24' ' ' THR . 10.7 ttp180 -104.83 94.24 5.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' LYS . 5.6 t -45.67 169.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -117.64 -52.52 2.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.2 -19.23 15.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.563 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 20.4 p -134.7 -0.69 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 2.1 p90 47.83 34.44 3.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 18' ' ' CYS . 40.7 tptt -99.51 155.0 17.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.431 HG22 ' HG3' ' A' ' 17' ' ' ARG . 69.3 p -114.82 145.58 41.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 t -140.06 134.27 31.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.195 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 86.1 p -73.39 90.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 26' ' ' SER . 8.1 m-20 -175.13 146.59 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.2 mmt -124.08 21.07 8.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -134.86 -36.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -45.22 121.93 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 p -97.52 -10.53 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.609 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 6.0 m-85 -126.37 132.02 51.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.54 ' HB2' HD21 ' A' ' 41' ' ' LEU . 13.3 t -78.75 159.48 27.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.36 -42.5 2.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.497 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 2.3 t-160 -48.68 -58.68 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.832 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.5 p -108.95 -48.52 3.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 33' ' ' CYS . . . 120.87 25.44 2.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -72.94 129.95 39.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.609 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -81.11 -2.26 47.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 40' ' ' THR . 5.8 t -117.66 119.71 35.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.605 ' CD1' HD13 ' A' ' 16' ' ' LEU . 41.7 mt -120.96 136.69 54.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.967 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -95.25 119.58 34.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.586 ' HE2' ' CD2' ' A' ' 14' ' ' TYR . 62.3 tttt -70.44 133.5 46.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 p -141.56 138.81 32.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.567 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 23.5 p -85.37 153.19 22.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 55' ' ' HIS . 29.5 m -145.33 156.19 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 84.8 m -116.56 144.21 44.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.6 mm -104.93 97.71 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -71.17 154.71 41.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -44.62 -50.87 9.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.94 -47.3 71.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.41 42.45 0.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.8 p -109.35 153.16 24.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.155 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.1 mt -96.57 154.64 17.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.536 ' O ' HG12 ' A' ' 46' ' ' VAL . 79.8 m-70 -133.52 118.79 18.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.8 mtt -127.19 124.98 40.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -66.08 140.01 58.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -151.1 134.58 16.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.5 t -49.48 153.05 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.9 ttt-85 -58.94 122.97 14.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.806 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -125.74 159.37 61.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.626 0.727 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.449 ' HB2' HG13 ' A' ' 64' ' ' VAL . 54.0 Cg_endo -69.7 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.724 2.283 . . . . 0.0 112.353 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.86 25.03 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.449 HG13 ' HB2' ' A' ' 62' ' ' PRO . 22.2 m -40.9 132.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 66' ' ' ASN . 19.8 tp -149.57 152.87 36.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.413 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 29.6 t30 -92.89 112.18 54.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.595 0.712 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 158.13 58.01 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.64 119.04 33.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.51 -76.19 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.433 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.1 tp -119.77 127.77 53.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -69.43 164.24 23.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -86.77 169.0 13.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.3 m -132.52 177.58 7.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -103.89 167.73 9.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 158.96 93.95 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.429 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 143.08 49.23 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.659 2.239 . . . . 0.0 112.288 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.9 m -159.54 130.88 6.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 t -153.35 177.3 11.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -54.16 135.02 44.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.899 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -103.83 -55.89 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.86 -137.67 7.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.53 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -118.67 139.66 51.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.822 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 p -57.45 118.43 5.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.72 56.26 0.71 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' ARG . 75.6 t -106.31 143.35 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.818 0.342 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 8' ' ' VAL . 3.4 tpp85 -33.7 132.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.95 138.62 39.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.81 130.81 35.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.061 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -97.94 147.33 24.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.1 m -122.75 109.02 13.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 5.3 m-85 -118.06 156.71 28.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.907 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.631 HD13 ' HB ' ' A' ' 24' ' ' THR . 2.1 pp -141.33 163.32 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.456 HD13 HD13 ' A' ' 41' ' ' LEU . 69.3 mt -100.06 114.44 27.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -95.83 111.44 23.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.73 175.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.473 ' NE2' ' HG2' ' A' ' 42' ' ' LYS . 2.5 m80 -116.7 -71.42 0.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' HIS . . . -38.09 -38.08 0.52 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.431 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 28.3 p -110.91 -30.2 7.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 73.89 35.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 2.6 tptp -97.18 178.53 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.631 ' HB ' HD13 ' A' ' 15' ' ' ILE . 46.5 p -131.43 133.03 44.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 25' ' ' THR . 13.0 t -125.74 126.9 45.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.145 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.3 p -67.1 92.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.472 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 5.9 t0 -175.4 137.77 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.6 mmt -117.07 20.66 13.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -134.96 -36.17 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 39.2 mtt180 -48.36 157.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.595 HG13 ' CD2' ' A' ' 32' ' ' PHE . 7.6 p -126.13 -19.52 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.595 ' CD2' HG13 ' A' ' 31' ' ' VAL . 78.1 m-85 -109.76 158.44 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.3 t -100.27 156.67 17.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.94 -48.82 3.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -55.03 -64.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 19.6 p -106.07 -47.74 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.439 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 98.32 91.48 1.96 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 27.6 t-20 -121.65 145.54 47.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.875 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 20.5 mtpt -83.48 3.57 31.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 40' ' ' THR . 2.6 t -130.56 117.88 20.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.456 HD13 HD13 ' A' ' 16' ' ' LEU . 82.7 mt -123.28 131.53 53.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.473 ' HG2' ' NE2' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -94.08 125.29 38.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.789 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -76.78 132.38 39.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.9 p -141.16 146.96 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 23.4 p -90.63 144.07 26.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 55' ' ' HIS . 20.1 m -137.94 134.62 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.496 HG22 ' HB2' ' A' ' 55' ' ' HIS . 8.8 t -88.47 154.46 20.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.2 mm -90.08 118.37 35.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -95.44 155.2 16.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -48.07 -43.63 30.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.619 ' O ' HG23 ' A' ' 53' ' ' THR . 1.7 p30 -91.47 37.22 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' ASP . . . 33.88 76.41 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 51' ' ' ASP . 59.0 p -136.57 138.34 41.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 111.125 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.54 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 86.9 mt -57.45 175.4 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 54' ' ' LEU . 68.3 m-70 -166.82 126.0 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -134.2 150.48 51.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -88.92 129.0 35.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -150.53 157.08 42.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.7 t -112.09 130.61 55.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -80.52 104.75 11.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -102.12 152.58 38.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.743 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 107.21 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.654 2.236 . . . . 0.0 112.39 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -85.12 101.15 12.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.8 m -101.2 160.54 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.5 mt -145.28 166.01 26.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -38.05 141.65 0.5 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 158.83 55.63 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.367 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -38.88 147.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -125.27 -60.59 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -43.94 131.78 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.96 175.4 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -100.9 170.79 8.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -115.21 156.38 25.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 61.6 m -118.72 164.9 14.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.44 145.0 17.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 177.53 5.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.719 2.28 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -135.46 166.74 22.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 t -140.58 177.29 8.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.828 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.508 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 3' ' ' SER . 19.9 m -105.49 102.48 11.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.899 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 2' ' ' SER . 32.6 p -36.85 -43.67 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.89 76.14 0.38 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 m -48.77 119.82 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.829 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 m -149.1 151.11 33.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.75 63.32 2.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.1 t -116.45 129.55 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 111.098 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.401 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -86.35 164.82 16.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -78.59 149.78 32.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.75 103.62 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -101.83 135.01 44.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.9 m -90.64 109.13 20.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 45' ' ' SER . 14.5 m-85 -107.77 155.78 19.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.509 HG13 HG13 ' A' ' 44' ' ' VAL . 1.8 pt -142.69 165.32 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.9 mt -102.83 114.29 28.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.638 ' HG3' HG22 ' A' ' 24' ' ' THR . 2.1 ttt-85 -97.41 114.35 26.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 t -69.75 165.93 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -118.91 -52.72 2.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.97 -19.78 1.1 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.566 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 22.8 p -134.95 -26.43 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 75.04 42.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.4 tppp? -111.97 142.26 44.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.638 HG22 ' HG3' ' A' ' 17' ' ' ARG . 44.8 p -102.09 136.83 41.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 25' ' ' THR . 12.4 t -133.03 126.12 31.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -66.87 90.13 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.456 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 6.3 t0 -175.46 135.99 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 67.2 mmm -115.3 21.85 13.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -134.45 -35.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.456 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 70.0 mtt-85 -46.61 123.13 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.786 HG13 ' CD2' ' A' ' 32' ' ' PHE . 9.9 p -90.24 -17.92 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.786 ' CD2' HG13 ' A' ' 31' ' ' VAL . 89.8 m-85 -117.09 157.66 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 14.4 t -95.7 159.2 15.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.417 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -93.29 -43.68 3.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.461 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 2.4 t60 -59.0 -61.96 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 25.3 p -107.52 -48.62 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 99.38 83.83 1.75 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -117.53 152.84 34.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.427 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 26.5 mtpt -89.99 12.81 16.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 40' ' ' THR . 3.0 t -138.87 115.95 10.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.192 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.4 mt -124.59 139.76 53.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.8 132.57 45.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -77.18 138.19 39.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.509 HG13 HG13 ' A' ' 15' ' ' ILE . 2.7 p -143.19 140.4 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.576 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 83.0 p -86.59 146.01 26.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.594 HG12 ' HG3' ' A' ' 56' ' ' MET . 20.5 m -142.93 134.85 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.1 m -90.6 151.37 21.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.8 mm -116.11 135.59 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -106.51 155.28 19.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.55 -50.5 4.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.47 -44.51 96.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.26 72.35 0.42 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.2 p -127.01 161.75 27.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 111.102 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.2 mt -114.1 139.92 48.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -129.72 106.12 8.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.594 ' HG3' HG12 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -102.44 105.71 16.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -80.02 137.77 36.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -158.75 178.53 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.7 t -103.66 115.85 31.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -83.52 141.96 31.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -77.17 144.85 72.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.642 0.734 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -174.63 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.671 2.248 . . . . 0.0 112.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.48 81.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.2 m -51.12 167.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.6 tp -122.03 81.4 1.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -59.78 153.29 53.83 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 125.57 12.32 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.694 2.263 . . . . 0.0 112.359 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 -40.74 -52.02 3.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 139.94 -52.67 0.7 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.8 102.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -84.35 156.24 21.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -80.6 157.47 26.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.4 p -58.71 174.42 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.8 t -106.82 161.09 14.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -141.71 154.01 24.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -179.95 3.26 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.6 p -115.05 174.8 5.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.901 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.5 m -102.07 175.0 5.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 m -127.46 118.96 25.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.842 0.353 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 4' ' ' GLY . 2.9 m -170.84 149.9 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -36.44 142.41 0.17 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 m -117.15 44.71 2.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.857 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -78.53 96.68 5.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.26 46.85 28.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.9 m -93.99 137.69 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.55 124.02 30.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -82.72 138.1 34.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.7 126.13 30.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.2 mmt-85 -90.12 106.4 18.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.3 m -85.89 112.29 21.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.459 ' CZ ' ' OG ' ' A' ' 45' ' ' SER . 3.9 m-85 -109.48 156.54 19.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.422 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.6 pp -139.19 158.89 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -99.4 113.13 25.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' HG3' HG22 ' A' ' 24' ' ' THR . 37.5 ttt180 -102.13 110.64 22.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.94 177.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 21' ' ' CYS . 65.3 t-80 -117.93 -70.79 0.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.91 -24.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.636 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 29.3 p -127.94 -4.95 5.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.586 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 48.3 p90 47.29 38.53 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.553 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 1.8 mmmp? -95.44 179.81 5.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.503 HG22 ' HG3' ' A' ' 17' ' ' ARG . 62.6 p -136.08 149.28 48.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 25' ' ' THR . 14.9 t -147.03 115.07 6.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.458 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 2.8 m -62.51 91.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.501 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.2 m-20 -176.05 110.1 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.3 mmt -91.22 29.67 1.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -135.01 -37.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.501 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 39.9 mtt-85 -59.59 144.75 46.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 p -116.79 -15.93 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.626 ' CE1' ' HG3' ' A' ' 39' ' ' LYS . 24.1 m-85 -102.87 172.33 6.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.8 t -117.22 153.9 32.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.13 -45.34 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.636 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 31.3 t60 -48.66 -70.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 19.2 p -93.09 -47.3 7.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 116.07 25.83 3.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.542 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -64.05 156.07 29.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.626 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 5.0 ttpt -104.02 10.06 36.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 40' ' ' THR . 5.8 t -138.04 127.42 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.1 mt -119.82 146.43 45.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -105.45 117.64 34.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -70.07 137.2 51.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.3 p -142.2 152.44 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.459 ' OG ' ' CZ ' ' A' ' 14' ' ' TYR . 1.4 m -90.63 133.36 35.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.2 m -136.1 121.83 29.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.1 m -85.7 147.17 26.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.4 mm -108.12 109.16 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.074 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' ASP . 1.4 t30 -84.62 154.45 22.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' ASN . 10.1 m-20 -38.09 -60.0 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -48.07 -49.73 30.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.47 49.4 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.525 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.6 p -114.19 155.2 26.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 111.125 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 35.4 mt -102.03 144.7 30.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -125.54 104.09 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.7 mmt -89.01 144.1 26.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -71.07 123.5 22.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -56.29 131.64 48.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -126.39 111.26 14.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.6 mtt85 -62.69 83.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -125.28 135.96 27.57 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.613 0.72 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 7.19 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -104.98 -52.12 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.9 m -56.73 152.34 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.418 ' C ' HD12 ' A' ' 65' ' ' LEU . 3.5 pp -126.85 149.19 49.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -151.72 147.95 21.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.637 0.732 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 162.02 43.69 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 69' ' ' GLY . 0.2 OUTLIER -68.7 -32.37 72.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.474 ' N ' ' HD2' ' A' ' 68' ' ' ARG . . . 156.07 146.2 4.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.503 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.5 tp -155.52 122.67 5.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -57.03 149.13 19.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -123.17 -48.96 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 t -44.83 101.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 m -160.41 148.75 16.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.13 77.85 1.05 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 158.33 57.3 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.392 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -77.04 -46.68 22.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.1 p -44.34 129.8 6.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p -51.03 -47.42 61.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.912 0.387 . . . . 0.0 110.859 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 t -71.76 119.63 16.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.23 125.47 0.76 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 m 54.39 42.25 31.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 110.899 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 t -98.2 105.92 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -36.86 -90.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.516 ' O ' HG13 ' A' ' 8' ' ' VAL . 12.5 p -84.14 118.4 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 111.156 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -56.8 -57.82 10.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -95.42 106.32 18.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.21 140.7 34.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 mtm105 -98.73 154.64 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.3 p -120.91 109.67 15.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.851 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 45' ' ' SER . 6.6 m-85 -125.39 152.76 44.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.481 ' CD1' ' HG3' ' A' ' 17' ' ' ARG . 2.3 pp -138.08 160.4 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 43' ' ' LYS . 40.0 mt -102.43 115.76 31.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.66 ' HD3' HG11 ' A' ' 44' ' ' VAL . 19.2 mtp180 -99.34 98.49 9.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.1 t -46.07 170.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.562 ' NE2' ' CG2' ' A' ' 40' ' ' THR . 31.7 p80 -118.93 -50.81 2.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.483 ' N ' ' CG ' ' A' ' 19' ' ' HIS . . . -53.94 -20.67 14.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.634 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 28.5 p -133.52 -17.82 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 7.8 m-85 65.26 36.2 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -100.6 167.87 10.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.449 HG22 ' CG ' ' A' ' 17' ' ' ARG . 17.0 p -119.09 142.01 48.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.512 ' O ' HG23 ' A' ' 25' ' ' THR . 8.2 t -137.04 122.97 20.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.4 p -64.29 89.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -175.03 154.35 1.8 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.7 mmt -131.01 8.74 4.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -132.66 32.56 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.482 ' O ' HD12 ' A' ' 41' ' ' LEU . 33.7 mtt-85 -97.91 141.45 30.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.4 p -119.59 -5.65 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.583 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 3.7 m-85 -145.09 132.99 21.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 10.9 t -87.62 158.79 18.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.416 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.67 -43.95 1.74 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.634 ' CD2' ' CB ' ' A' ' 21' ' ' CYS . 6.8 t60 -43.42 -62.03 1.19 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.96 -48.52 3.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.39 68.57 0.61 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.413 ' OD1' ' CE1' ' A' ' 19' ' ' HIS . 1.8 m-80 -121.21 153.92 36.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.583 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 5.4 ttmt -99.73 9.92 42.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 40' ' ' THR . 6.0 t -125.24 113.27 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.545 HD13 HD13 ' A' ' 16' ' ' LEU . 96.4 mt -110.95 149.04 31.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.452 ' HD3' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -112.65 114.05 26.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.596 ' HA ' HD23 ' A' ' 16' ' ' LEU . 23.8 tttt -73.93 136.4 43.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.66 HG11 ' HD3' ' A' ' 17' ' ' ARG . 3.9 p -142.31 150.37 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.126 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 85.7 p -92.11 153.78 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.521 HG12 ' HG3' ' A' ' 56' ' ' MET . 14.3 m -137.94 128.78 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.7 m -87.56 153.61 21.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.3 mp -91.18 128.94 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.477 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 28.6 t-20 -105.53 155.47 19.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 49' ' ' ASN . 76.5 m-20 -34.07 -63.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -64.68 -40.35 95.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.79 28.5 3.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.45 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 54' ' ' LEU . 2.6 m -79.46 164.59 23.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 111.156 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.422 ' N ' HG22 ' A' ' 53' ' ' THR . 25.6 mt -76.46 125.07 28.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 49' ' ' ASN . 80.2 m-70 -133.83 113.72 12.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.521 ' HG3' HG12 ' A' ' 46' ' ' VAL . 2.7 mpt? -102.72 117.55 34.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -80.29 112.55 17.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -140.17 138.21 34.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.1 m -72.01 150.48 43.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -138.52 165.5 26.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -77.99 153.65 80.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 4.63 2.08 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.617 2.211 . . . . 0.0 112.349 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -84.24 76.68 10.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.3 m -102.93 150.04 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tp -130.59 144.3 51.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' CG ' ' HD2' ' A' ' 67' ' ' PRO . 7.6 t30 -148.19 141.42 15.46 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.77 167.47 24.36 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.313 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -111.0 155.17 23.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 144.33 102.83 0.4 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.464 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.9 mt -145.8 166.22 26.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 72' ' ' TYR . 10.7 ttm180 -168.1 171.02 9.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.509 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 37.8 m-85 -166.34 171.65 11.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 t -173.79 176.25 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.6 p -166.34 174.83 8.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -172.61 130.05 1.83 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 118.68 5.82 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.246 . . . . 0.0 112.358 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.2 p -59.06 -62.58 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t 69.58 42.98 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.498 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -133.23 167.65 19.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 110.876 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -123.24 111.09 16.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.73 131.0 9.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -128.74 93.94 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.8 p -94.39 94.28 8.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.97 46.05 14.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.2 t -70.78 145.75 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.401 ' HD3' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -55.86 146.57 21.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 3.3 tm-20 -89.12 104.98 17.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.29 143.26 30.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.3 mtm-85 -121.56 178.72 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.5 m -134.66 111.92 10.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -115.01 156.43 25.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.433 ' CD1' ' CG1' ' A' ' 44' ' ' VAL . 2.5 pp -140.28 164.78 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.761 HD13 HD13 ' A' ' 41' ' ' LEU . 96.3 mt -100.49 113.94 27.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.524 ' HB2' HG11 ' A' ' 44' ' ' VAL . 18.2 ttp180 -101.25 94.94 6.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 t -49.05 168.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -116.3 -53.41 2.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.34 -19.93 2.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.52 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.591 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 28.2 p -131.86 -16.96 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 28.2 m-85 63.94 31.57 13.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -101.01 167.81 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.7 p -122.71 144.87 48.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 25' ' ' THR . 15.1 t -138.82 120.98 15.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.5 p -65.34 88.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -176.9 112.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 74.4 mmm -94.52 26.46 3.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -133.03 -35.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -54.5 123.39 12.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.457 HG13 ' CD2' ' A' ' 32' ' ' PHE . 11.1 p -97.01 -12.73 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.65 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 20.5 m-85 -117.9 157.41 26.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.0 t -114.2 153.82 28.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.38 -38.52 2.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.591 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 3.2 t-160 -46.48 -54.6 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 110.829 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.7 p -116.16 -48.08 2.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.34 72.22 0.72 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -124.63 155.44 39.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.65 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 1.4 ttpt -99.33 5.28 46.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 40' ' ' THR . 5.1 t -123.19 116.62 23.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.761 HD13 HD13 ' A' ' 16' ' ' LEU . 81.2 mt -117.6 138.24 52.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -98.71 122.84 42.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -74.87 136.43 41.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.524 HG11 ' HB2' ' A' ' 17' ' ' ARG . 3.6 p -142.29 148.61 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -82.61 161.62 22.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.6 m -154.73 118.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.2 m -107.5 143.06 36.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.493 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.5 mp -94.74 111.38 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -77.21 152.41 34.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -43.79 -49.32 8.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.83 -43.62 98.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.43 68.16 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.7 p -138.83 162.61 34.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.847 0.356 . . . . 0.0 111.137 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.2 mp -98.23 159.39 14.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -135.56 115.87 13.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 41.5 mtt -130.93 113.23 13.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -61.56 121.06 11.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -66.72 155.24 38.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.9 p -120.19 170.16 9.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -72.91 97.96 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.35 142.74 25.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.654 0.74 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 119.88 6.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.67 2.246 . . . . 0.0 112.355 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -122.99 88.54 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.3 m -123.14 166.49 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.171 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.3 mt -122.74 139.81 53.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -83.49 157.13 65.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.546 0.688 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 150.85 68.72 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 -113.53 167.38 10.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -170.25 154.19 22.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.827 HD22 ' C ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -95.74 156.88 16.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.813 0.339 . . . . 0.0 110.939 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.449 ' N ' HD22 ' A' ' 70' ' ' LEU . 13.9 ptt180 -126.44 178.0 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 56.23 40.59 29.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.9 p -54.58 146.93 15.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.0 t -40.06 140.69 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.49 166.63 30.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -178.29 2.28 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.701 2.267 . . . . 0.0 112.326 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.0 m -100.91 167.5 10.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.5 t -69.65 -48.67 59.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.822 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -134.21 104.68 6.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.864 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.7 p -127.38 127.08 43.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.59 129.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 m -117.52 94.99 4.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.848 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -45.87 154.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.23 102.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.2 p -124.8 129.45 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 111.158 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -38.62 150.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -73.14 155.24 39.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.39 96.1 7.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.4 mtm-85 -95.19 118.98 32.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.2 m -95.22 111.47 23.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 5.2 m-85 -119.68 153.26 35.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.406 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.4 pp -140.11 162.86 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.4 mt -99.18 112.13 24.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.472 ' HG3' HG22 ' A' ' 24' ' ' THR . 44.5 ttt85 -96.71 116.78 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.5 t -69.67 163.53 25.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -115.85 -51.64 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.806 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -43.66 -26.53 0.73 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.477 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 30.2 p -129.43 -16.47 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.912 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 7.5 m-85 65.72 54.84 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' HD2' ' ND1' ' A' ' 35' ' ' HIS . 5.8 mtpm? -124.78 179.55 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.472 HG22 ' HG3' ' A' ' 17' ' ' ARG . 45.4 p -129.71 147.84 51.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.175 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.2 t -142.82 136.33 28.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 37.3 p -78.04 89.17 4.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 26' ' ' SER . 3.7 m-20 -175.78 120.84 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 14' ' ' TYR . 74.3 mmm -101.39 23.19 11.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -134.93 -35.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.0 mtt-85 -44.34 139.55 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.771 HG13 ' HD1' ' A' ' 32' ' ' PHE . 4.3 p -112.05 -15.18 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.771 ' HD1' HG13 ' A' ' 31' ' ' VAL . 5.7 m-85 -123.81 127.06 47.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.2 t -62.25 155.35 24.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.74 -42.1 3.95 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 51.6 t60 -58.4 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 27.3 p -104.65 -48.84 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.412 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 106.54 90.96 2.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -125.97 149.16 48.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.876 0.369 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.694 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 27.1 mtpt -91.35 6.61 44.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 40' ' ' THR . 5.0 t -135.17 113.95 11.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -119.46 135.4 54.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.85 123.07 36.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -73.43 136.42 44.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.8 p -143.1 146.08 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 96.4 p -83.18 154.04 24.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.4 m -152.97 133.21 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.3 m -88.88 142.39 27.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.4 mm -105.82 100.26 10.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -68.17 151.86 46.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -40.75 -46.78 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -63.88 -45.25 90.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.61 57.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.7 p -125.48 163.22 23.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mp -109.57 156.21 20.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -144.92 106.31 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.1 mtt -103.19 131.85 49.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -102.03 96.06 6.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -103.14 132.74 49.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.3 t -49.95 105.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -82.33 107.01 14.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -78.92 153.98 77.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.657 0.741 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 105.58 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.691 2.26 . . . . 0.0 112.367 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -133.93 108.15 8.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 64' ' ' VAL . 11.1 p -168.68 127.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.1 tp -92.01 107.21 19.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.23 147.89 85.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 157.21 61.15 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -96.01 41.97 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -91.77 66.03 2.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.7 tp -81.77 103.81 11.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.0 ttm-85 -149.32 127.83 12.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -165.37 173.57 10.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 m -163.3 153.78 16.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.4 m -140.86 173.93 11.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.34 83.64 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -175.12 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.4 t -130.66 174.68 9.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -89.5 -57.51 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.505 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.6 t -133.4 139.44 46.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 p -142.95 153.42 43.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.42 74.56 1.27 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 m -129.54 129.22 44.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -72.74 108.58 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.27 129.87 1.09 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 8' ' ' VAL . 16.6 m -98.9 109.41 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 111.137 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.476 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -128.42 89.04 2.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -72.41 141.56 48.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.87 123.35 38.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -82.0 89.34 6.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.482 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 14.5 m -74.94 110.84 9.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.577 ' CZ ' ' CB ' ' A' ' 45' ' ' SER . 4.7 m-85 -108.63 164.56 12.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.587 HG13 HG13 ' A' ' 44' ' ' VAL . 4.9 pt -140.64 169.87 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.67 HD13 ' CD1' ' A' ' 41' ' ' LEU . 91.9 mt -108.56 115.52 30.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.755 ' HD3' HG11 ' A' ' 44' ' ' VAL . 11.7 mtp-105 -97.79 106.43 18.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 t -61.74 165.67 4.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -116.16 -53.51 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.87 -18.33 1.06 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.434 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.522 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 32.1 p -133.53 -20.73 2.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.367 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 68.84 32.78 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -99.43 166.25 11.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.675 HG22 ' HG2' ' A' ' 17' ' ' ARG . 70.3 p -121.97 136.18 54.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.171 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.467 ' O ' HG23 ' A' ' 25' ' ' THR . 12.8 t -130.7 125.45 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.181 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.4 t -68.23 89.12 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.2 t0 -176.27 129.46 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.458 ' HE3' ' HB3' ' A' ' 14' ' ' TYR . 8.8 mmt -108.48 22.43 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -132.74 -37.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 15.8 mtt-85 -46.49 125.79 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.706 HG13 ' CD1' ' A' ' 32' ' ' PHE . 10.5 p -94.01 -16.36 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.706 ' CD1' HG13 ' A' ' 31' ' ' VAL . 33.6 m-85 -114.16 177.82 4.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.1 t -123.14 158.12 31.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.822 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -102.16 -42.81 2.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.522 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 2.8 t-160 -48.44 -61.83 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.403 ' SG ' ' OD1' ' A' ' 38' ' ' ASN . 29.4 p -107.11 -48.35 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 33' ' ' CYS . . . 116.14 31.67 1.83 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.528 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.403 ' OD1' ' SG ' ' A' ' 36' ' ' CYS . 6.4 m120 -70.72 155.16 41.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.597 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 4.7 ttpt -100.38 -0.91 37.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 40' ' ' THR . 6.5 t -123.77 120.17 31.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.67 ' CD1' HD13 ' A' ' 16' ' ' LEU . 43.5 mt -116.21 141.77 47.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.74 128.88 47.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.503 ' HE2' ' CD2' ' A' ' 14' ' ' TYR . 21.6 tttm -76.98 138.07 39.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.755 HG11 ' HD3' ' A' ' 17' ' ' ARG . 2.2 p -138.79 146.53 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.577 ' CB ' ' CZ ' ' A' ' 14' ' ' TYR . 74.8 p -93.91 140.83 29.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 13' ' ' SER . 6.9 m -135.92 150.95 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.0 m -107.8 149.38 28.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.6 mm -108.6 105.11 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.171 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -75.7 155.36 35.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.97 -35.85 5.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 27.7 t70 -84.81 33.76 0.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 39.58 77.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 51' ' ' ASP . 40.1 p -138.33 160.83 38.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 111.14 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.5 mp -111.39 135.42 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -128.54 108.41 10.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -87.2 128.33 35.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -74.41 105.92 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -42.46 -58.36 2.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 48.93 33.43 4.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -147.39 117.18 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -93.07 135.42 25.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.618 0.723 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.54 18.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.738 2.292 . . . . 0.0 112.327 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -80.05 -48.64 12.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.0 m -92.7 161.34 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 tt -121.08 93.96 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -124.3 154.62 68.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 174.81 9.0 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.47 ' HD2' ' N ' ' A' ' 68' ' ' ARG . 8.0 mpt_? -114.33 108.5 17.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 46.83 -146.65 3.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.4 mt -147.57 165.5 30.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.335 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.448 ' HD3' ' N ' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -91.66 124.5 35.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.448 ' N ' ' HD3' ' A' ' 71' ' ' ARG . 9.9 p90 -114.05 128.01 56.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.6 t -138.65 163.84 31.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -167.95 135.12 2.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.34 128.62 1.34 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 158.31 57.36 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.5 m -97.32 153.17 18.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.4 p -169.59 173.1 6.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -77.12 -59.73 2.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 0.0 110.808 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 m -118.7 -55.41 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.35 43.07 0.79 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 t -112.2 41.89 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 0.0 110.872 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -90.94 133.63 35.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.14 61.1 1.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.6 p -120.11 137.59 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.343 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -90.0 166.99 13.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 1.3 pm0 -88.37 122.94 32.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.64 144.6 25.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.49 ' HB3' ' CE1' ' A' ' 14' ' ' TYR . 1.8 mmp_? -77.04 89.55 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.815 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -66.62 105.78 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.584 ' HB3' ' HE3' ' A' ' 28' ' ' MET . 5.4 m-85 -122.08 152.87 39.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.444 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.5 pp -132.63 170.73 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.426 ' CD1' ' O ' ' A' ' 30' ' ' ARG . 85.4 mt -106.41 113.97 27.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HG3' HG22 ' A' ' 24' ' ' THR . 14.6 ttt85 -101.22 124.45 46.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.7 t -77.63 174.63 10.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -118.72 -68.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -37.44 -34.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.619 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 30.6 p -115.01 -31.7 5.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.896 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 t80 74.96 43.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HG2' ' ND1' ' A' ' 35' ' ' HIS . 1.8 mptp? -114.37 153.25 30.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.485 HG22 ' HG3' ' A' ' 17' ' ' ARG . 71.1 p -109.55 141.61 41.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.471 ' O ' HG23 ' A' ' 25' ' ' THR . 13.2 t -133.71 125.96 29.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.457 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 79.7 p -61.52 90.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.457 ' CG ' ' O ' ' A' ' 26' ' ' SER . 5.2 m-20 -175.05 109.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.584 ' HE3' ' HB3' ' A' ' 14' ' ' TYR . 4.8 mmt -93.25 21.59 5.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -135.03 -35.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.426 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 56.6 mtt180 -55.67 139.06 46.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.547 HG13 ' CD1' ' A' ' 32' ' ' PHE . 7.2 p -107.27 -16.87 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.609 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 38.6 m-85 -102.23 169.17 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 11.7 t -112.8 160.18 18.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -102.88 -47.5 1.35 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.619 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 15.9 t60 -47.69 -68.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.828 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 23.0 p -96.63 -47.42 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 115.26 26.67 3.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -61.88 155.58 23.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.404 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.609 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -102.35 13.97 33.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 40' ' ' THR . 8.2 t -141.15 129.13 21.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.215 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.433 ' C ' ' HE2' ' A' ' 42' ' ' LYS . 89.8 mt -126.0 135.86 52.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.433 ' HE2' ' C ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -93.81 121.91 35.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.429 ' HE3' ' CD2' ' A' ' 14' ' ' TYR . 15.8 ttpt -69.47 131.97 45.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.5 p -141.45 147.29 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 87.4 p -86.19 160.62 19.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 45' ' ' SER . 35.6 m -158.06 129.14 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -98.81 157.16 16.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.3 mp -106.44 94.1 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' ASP . 5.6 t-20 -78.93 153.71 30.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 50' ' ' ASP . 20.8 t0 -37.44 -59.27 0.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.805 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.85 -44.05 97.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.92 65.46 0.38 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.453 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.1 p -116.21 157.3 25.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 111.168 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.0 mt -109.42 95.68 5.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -76.53 111.08 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 48.3 mtt -116.87 152.09 35.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -104.23 135.49 45.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -125.16 37.72 4.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 p -93.88 -33.34 13.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.825 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -54.98 -53.86 50.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.811 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -91.74 145.39 31.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.616 0.722 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 176.06 7.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.359 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -112.32 -51.37 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.8 m -103.04 165.59 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.4 tp -118.55 -58.98 1.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -141.22 161.62 52.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 154.26 67.72 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 69.7 mmt-85 -99.75 149.89 22.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 153.76 116.62 0.62 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 tp -163.84 162.11 23.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -134.2 168.06 19.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -107.74 155.49 20.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.0 m -171.69 148.74 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 t -165.8 153.9 10.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 152.98 73.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -175.38 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.375 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -174.69 176.54 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.5 p -71.79 -57.79 4.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 m -126.65 87.2 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 0.0 110.853 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 p -164.96 143.29 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.76 -124.0 3.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.447 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 m -99.06 87.38 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.3 p -129.94 -44.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.79 49.2 0.45 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.4 m -108.4 132.43 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -110.92 162.11 15.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -77.33 157.81 30.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -116.06 129.84 56.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.8 mtt85 -102.05 171.53 7.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 p -137.68 117.15 12.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.546 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 8.3 m-85 -127.79 151.82 48.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.509 HD13 ' HB ' ' A' ' 24' ' ' THR . 2.7 pp -140.51 166.77 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.548 HD13 HD13 ' A' ' 41' ' ' LEU . 74.1 mt -101.77 112.47 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.619 ' HG3' HG22 ' A' ' 24' ' ' THR . 15.2 ttm180 -101.14 100.21 10.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -58.04 168.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -115.52 -53.09 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.11 -17.36 0.95 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.594 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 28.0 p -134.67 -27.15 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 t80 75.0 33.22 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -102.68 157.68 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.619 HG22 ' HG3' ' A' ' 17' ' ' ARG . 72.5 p -118.58 139.62 51.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.3 t -132.34 126.21 32.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 3.1 m -70.43 88.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 26' ' ' SER . 11.1 m-20 -175.06 133.76 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.4 mmt -112.14 30.11 7.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -135.0 -38.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.6 mtt-85 -47.67 123.82 6.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.82 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.514 HG13 ' CD2' ' A' ' 32' ' ' PHE . 8.1 p -97.36 -14.16 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.625 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 13.3 m-85 -122.48 151.82 40.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.413 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 8.5 t -97.55 154.58 17.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.76 -43.09 2.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.594 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 3.1 t-160 -45.75 -62.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.9 p -106.78 -48.26 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 33' ' ' CYS . . . 115.75 35.69 1.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -79.56 156.68 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.625 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 2.1 tttt -103.78 1.73 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 40' ' ' THR . 10.4 t -123.24 120.25 32.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.548 HD13 HD13 ' A' ' 16' ' ' LEU . 71.4 mt -120.58 141.3 50.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.0 117.77 34.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HD3' ' CD2' ' A' ' 14' ' ' TYR . 7.9 ttmt -72.01 134.06 45.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.496 HG21 ' NH2' ' A' ' 17' ' ' ARG . 6.8 p -141.27 147.34 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 52.3 p -86.66 151.7 23.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 m -140.59 123.85 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.5 m -97.13 150.9 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.503 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.5 mp -109.67 107.72 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -74.05 154.19 39.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.89 -57.98 2.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -52.38 -49.14 65.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.51 68.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.4 p -136.58 147.76 47.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.148 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.2 mt -99.16 99.13 10.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -84.58 133.73 34.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.423 ' HB3' ' NH2' ' A' ' 17' ' ' ARG . 65.8 mtt -120.36 136.65 54.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -94.2 146.87 23.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.896 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -104.02 157.26 17.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -98.39 -57.31 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -84.6 174.97 9.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -74.67 151.62 87.03 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.702 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 166.59 27.06 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -132.95 84.01 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.4 m -116.46 36.94 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.0 mt -109.75 87.42 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.417 ' CG ' ' HD2' ' A' ' 67' ' ' PRO . 10.3 t30 -137.77 140.06 28.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 66' ' ' ASN . 53.9 Cg_endo -69.77 161.42 45.98 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.459 ' O ' ' C ' ' A' ' 69' ' ' GLY . 27.5 ptt180 -82.97 88.13 6.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 68' ' ' ARG . . . 33.82 -137.23 0.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 71' ' ' ARG . 40.6 tp -146.74 157.94 43.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.943 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.445 ' N ' ' HG ' ' A' ' 70' ' ' LEU . 12.3 tpt180 -85.56 152.71 22.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.809 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.409 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 8.8 p90 -75.94 171.1 14.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.0 p -104.07 139.24 39.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.4 m -57.84 139.21 54.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.11 142.26 19.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 145.25 56.37 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.329 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.4 p -83.44 123.33 29.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 92.0 p -68.71 115.53 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.462 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -126.61 116.13 20.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.351 . . . . 0.0 110.859 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -93.83 146.55 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -152.06 81.5 0.18 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' GLY . 66.2 p 37.23 42.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -141.95 119.51 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.88 -45.74 1.79 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.6 t -74.86 121.75 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.339 . . . . 0.0 111.125 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.7 mmm-85 -43.07 162.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -85.6 109.57 18.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.23 146.22 24.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.5 mtm-85 -109.77 163.56 13.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -126.3 113.14 16.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.54 ' CD2' ' HE3' ' A' ' 43' ' ' LYS . 4.8 m-85 -117.8 155.39 30.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.596 HG13 HG13 ' A' ' 44' ' ' VAL . 2.8 pt -133.61 165.09 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' A' ' 41' ' ' LEU . 94.7 mt -99.41 112.85 24.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.673 ' HG3' HG22 ' A' ' 24' ' ' THR . 30.0 ttp180 -103.82 103.36 13.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 t -44.03 167.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.451 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 9.1 p-80 -120.22 -41.66 2.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.4 ' N ' ' CG ' ' A' ' 19' ' ' HIS . . . -61.08 -23.6 61.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.511 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 p -130.51 -11.21 4.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 63.97 36.5 10.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 24' ' ' THR . 3.8 tppp? -102.06 147.79 26.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.673 HG22 ' HG3' ' A' ' 17' ' ' ARG . 20.9 p -106.34 143.33 34.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 t -142.82 134.36 26.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -70.83 89.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.3 t0 -175.44 133.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.5 mmt -114.09 20.58 15.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -134.35 -37.17 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.536 ' O ' HD12 ' A' ' 41' ' ' LEU . 64.7 mtt-85 -45.68 130.42 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.568 HG13 ' CD2' ' A' ' 32' ' ' PHE . 15.0 p -104.69 -13.17 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.568 ' CD2' HG13 ' A' ' 31' ' ' VAL . 80.8 m-85 -117.26 143.73 45.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.2 t -91.87 161.32 14.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.81 -50.41 1.65 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -52.05 -59.16 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 20.7 p -109.47 -47.95 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 98.45 89.38 1.94 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -126.26 151.95 46.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -90.14 5.48 46.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 40' ' ' THR . 3.7 t -132.72 113.44 12.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 30' ' ' ARG . 85.9 mt -109.67 140.32 43.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -95.61 121.47 37.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.54 ' HE3' ' CD2' ' A' ' 14' ' ' TYR . 10.5 ttpt -71.21 137.43 48.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.596 HG13 HG13 ' A' ' 15' ' ' ILE . 2.1 p -141.95 144.97 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 98.1 p -83.95 161.5 20.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.42 HG12 ' CG ' ' A' ' 56' ' ' MET . 20.0 m -154.54 135.79 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.4 m -99.1 146.63 25.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.4 mm -109.99 143.96 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' ASP . 3.1 t30 -125.13 152.39 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' ASN . 6.5 t70 -37.25 -50.41 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.806 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.29 -42.51 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.812 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.81 81.23 1.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.8 p -128.34 156.16 43.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.834 0.35 . . . . 0.0 111.089 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.7 mt -105.68 110.08 22.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -111.68 103.53 11.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.42 ' CG ' HG12 ' A' ' 46' ' ' VAL . 9.4 mtt -104.64 117.2 33.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.414 ' CD2' ' C ' ' A' ' 57' ' ' HIS . 4.2 t60 -100.26 116.36 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -103.02 176.73 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 55.2 p -115.23 168.0 10.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 62.0 47.71 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.6 p-10 -85.09 118.82 71.67 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 177.4 5.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.358 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 64' ' ' VAL . 6.7 pttp -111.81 77.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 64' ' ' VAL . 27.7 m -36.46 118.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.455 ' HG ' ' N ' ' A' ' 66' ' ' ASN . 8.4 tp -130.66 150.32 51.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.455 ' N ' ' HG ' ' A' ' 65' ' ' LEU . 12.5 p30 -105.54 149.3 37.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.637 0.732 . . . . 0.0 110.854 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -168.84 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.226 . . . . 0.0 112.342 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.09 133.29 39.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.76 168.68 2.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.6 tp -153.45 158.58 41.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 72' ' ' TYR . 0.7 OUTLIER -97.03 175.39 6.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.427 ' N ' ' HD3' ' A' ' 71' ' ' ARG . 51.0 t80 -114.08 155.67 25.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.3 t -157.65 163.8 37.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.6 p -139.85 174.49 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.87 142.28 5.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -175.25 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.342 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -157.9 175.84 13.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.5 t -167.6 175.68 6.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 t -107.25 140.64 39.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 t -85.36 151.53 23.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.67 168.46 17.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.503 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -164.46 140.58 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.826 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -148.53 160.3 43.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.67 -99.83 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.2 t -122.05 117.58 52.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -169.97 135.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -86.29 127.23 34.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -106.41 111.76 24.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -123.19 151.74 41.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.5 m -159.72 109.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 5.4 m-85 -100.14 164.0 12.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.614 HD13 ' HB ' ' A' ' 24' ' ' THR . 2.2 pp -152.64 161.11 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.701 HD13 ' CD1' ' A' ' 41' ' ' LEU . 79.5 mt -100.34 114.01 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.688 ' HG3' HG22 ' A' ' 24' ' ' THR . 51.8 ttt-85 -98.95 99.55 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 22' ' ' PHE . 51.6 t -57.23 164.8 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -116.43 -50.59 2.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.68 -32.87 1.42 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 29.4 p -126.43 -20.13 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.872 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 47.4 m-85 72.81 49.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.574 ' HE3' ' CE1' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -118.61 157.31 27.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.688 HG22 ' HG3' ' A' ' 17' ' ' ARG . 33.2 p -116.18 145.65 42.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 25' ' ' THR . 14.4 t -142.82 128.65 19.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 49.7 p -66.32 89.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.467 ' CG ' ' O ' ' A' ' 26' ' ' SER . 8.9 m-20 -175.96 158.56 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.553 ' HE2' ' HG ' ' A' ' 16' ' ' LEU . 8.4 mmt -134.78 27.04 3.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 30' ' ' ARG . 9.0 m-20 -134.63 -40.15 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.473 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -32.64 114.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.929 HG13 ' CD2' ' A' ' 32' ' ' PHE . 7.7 p -91.93 -9.2 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.929 ' CD2' HG13 ' A' ' 31' ' ' VAL . 59.9 m-85 -139.26 104.98 5.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 32' ' ' PHE . 41.2 t -35.77 153.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -91.61 -43.64 4.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.574 ' CE1' ' HE3' ' A' ' 23' ' ' LYS . 18.7 t60 -58.68 -66.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 23.7 p -104.23 -48.73 3.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 108.82 96.13 2.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -126.11 150.89 47.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.368 . . . . 0.0 110.916 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.451 ' CG ' ' CE1' ' A' ' 32' ' ' PHE . 32.3 mtpt -92.91 6.35 48.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 40' ' ' THR . 5.2 t -137.31 115.13 11.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.701 ' CD1' HD13 ' A' ' 16' ' ' LEU . 50.4 mt -116.32 134.68 54.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -98.31 116.46 30.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -70.83 134.76 47.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.9 p -142.84 141.78 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.151 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 90.2 p -84.97 146.94 26.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.419 HG12 ' HG2' ' A' ' 56' ' ' MET . 15.0 m -137.99 116.23 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.3 m -88.36 143.79 26.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.8 mp -97.84 150.92 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' ASP . 24.1 t-20 -125.92 153.59 44.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' ASN . 1.2 m-20 -37.66 -60.76 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.53 -44.06 93.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.93 71.6 0.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.5 p -129.98 145.17 51.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.809 0.338 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.2 mt -82.35 152.34 26.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -127.53 82.29 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.586 ' HE3' HD11 ' A' ' 15' ' ' ILE . 25.1 mtp -109.63 112.83 25.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -102.65 136.93 41.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -88.44 163.12 16.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.0 t -59.21 132.62 54.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.805 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.8 mtp85 -50.78 122.93 8.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.0 151.95 64.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.629 0.728 . . . . 0.0 110.827 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 95.1 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -85.36 80.93 8.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.7 m -112.37 -29.22 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 tt -66.86 120.15 13.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.411 ' CG ' ' HD2' ' A' ' 67' ' ' PRO . 25.8 t-20 -88.31 140.55 30.4 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.653 0.74 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 66' ' ' ASN . 54.4 Cg_endo -69.76 147.6 63.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.0 mtm105 -85.44 120.62 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.56 161.34 23.93 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.6 tp -63.85 155.33 30.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -43.68 119.77 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -61.32 173.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -132.39 157.92 43.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 t -156.47 155.27 31.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.75 152.65 20.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 126.73 13.66 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.664 2.243 . . . . 0.0 112.377 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.9 m -58.75 -57.21 14.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.4 m -153.92 163.65 39.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -114.51 142.83 45.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.381 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -98.52 117.61 33.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.86 71.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 t -167.42 132.6 1.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 t -77.56 155.23 31.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.7 -144.51 15.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.535 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.2 t -125.08 131.86 71.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.795 0.331 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -91.05 144.29 25.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -81.74 121.14 26.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -113.89 99.7 7.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -141.47 140.32 33.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.2 m -104.0 112.69 25.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 45' ' ' SER . 9.7 m-85 -106.44 160.2 15.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.453 HG13 HG13 ' A' ' 44' ' ' VAL . 1.5 pt -143.08 162.79 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.471 HD13 HD13 ' A' ' 41' ' ' LEU . 93.0 mt -99.82 115.28 29.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' HB2' HG11 ' A' ' 44' ' ' VAL . 52.9 ttt-85 -97.5 123.21 41.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.6 t -77.55 168.78 19.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.553 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 56.0 t-80 -106.29 -73.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.59 -68.18 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.563 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 17.7 p -76.23 -29.15 57.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 19' ' ' HIS . 61.4 m-85 66.2 43.49 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.414 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 43.1 mmtt -108.85 150.81 27.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.7 p -108.13 137.33 46.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.155 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.9 t -133.37 131.93 40.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 28.6 t -73.48 90.02 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.467 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.3 m-20 -175.49 109.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 81.3 mmm -93.34 27.22 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -134.98 -34.08 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.467 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 44.1 mtt180 -51.84 141.37 17.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.749 HG13 ' CD2' ' A' ' 32' ' ' PHE . 14.7 p -109.76 -15.81 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.749 ' CD2' HG13 ' A' ' 31' ' ' VAL . 57.4 m-85 -120.54 110.36 16.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.41 ' O ' ' HA2' ' A' ' 37' ' ' GLY . 14.7 t -37.96 157.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -86.46 -45.61 5.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 44.3 t60 -61.64 -74.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.841 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 24.4 p -90.62 -48.7 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 97.3 84.57 1.75 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -114.3 155.21 26.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.904 0.383 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -86.27 7.76 24.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 40' ' ' THR . 4.8 t -134.16 114.15 12.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.471 HD13 HD13 ' A' ' 16' ' ' LEU . 83.8 mt -123.22 134.01 54.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -95.18 123.92 38.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -72.41 135.92 45.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.503 HG11 ' HB2' ' A' ' 17' ' ' ARG . 2.6 p -142.23 143.1 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.146 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 68.0 p -85.26 148.88 25.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.4 HG21 HD22 ' A' ' 54' ' ' LEU . 28.1 m -146.37 147.96 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -109.9 154.4 23.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.4 mm -105.76 96.73 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -82.13 155.37 25.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.18 -36.03 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.75 ' O ' HG23 ' A' ' 53' ' ' THR . 23.3 t0 -83.64 35.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 51' ' ' ASP . . . 32.73 60.73 0.39 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.498 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 51' ' ' ASP . 30.7 p -126.91 157.45 39.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.155 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.4 HD22 HG21 ' A' ' 46' ' ' VAL . 9.3 mt -110.03 147.27 33.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -113.1 132.87 55.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -132.4 98.91 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -63.44 122.11 15.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -143.12 138.67 30.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.2 t -44.45 99.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.56 34.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -124.87 122.68 25.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.66 0.743 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 87.21 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -53.03 -58.39 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.4 m -113.35 131.77 64.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.28 107.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.79 120.85 48.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.854 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 116.21 4.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.331 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -147.68 179.1 7.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -162.47 157.9 29.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.529 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.4 tp -58.69 134.62 56.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.29 172.94 8.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -101.06 166.43 10.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 m -161.37 138.06 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.3 p -67.73 -43.8 79.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.84 129.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -176.5 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.7 m -104.7 177.52 4.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.0 p -124.92 -61.53 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -62.13 149.34 41.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 110.825 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -109.65 115.53 30.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.15 61.4 3.05 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -64.36 124.07 20.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.0 p -87.71 151.07 23.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.23 151.0 5.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.4 p -105.62 143.75 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 111.176 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 9' ' ' ARG . 15.5 mtp-105 -122.84 171.67 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -107.6 146.2 32.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -108.22 125.71 51.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.584 ' HD2' ' CD1' ' A' ' 14' ' ' TYR . 14.5 tpp85 -126.05 137.62 53.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.9 m -127.58 82.89 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.584 ' CD1' ' HD2' ' A' ' 12' ' ' ARG . 6.4 m-85 -134.9 149.84 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.556 HD13 ' HB ' ' A' ' 24' ' ' THR . 2.1 pp -137.73 163.75 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.152 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.2 mt -99.87 114.23 27.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.625 ' HG3' HG22 ' A' ' 24' ' ' THR . 18.5 ttt85 -104.68 115.35 30.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.8 t -59.48 -179.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -116.39 -70.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.89 -26.4 1.17 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.52 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 26.6 p -125.2 3.36 7.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' CYS . 20.7 p90 36.39 32.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 6.3 tptm -87.5 165.67 15.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.625 HG22 ' HG3' ' A' ' 17' ' ' ARG . 16.7 p -123.54 146.64 47.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.4 t -141.07 130.5 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.459 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 64.3 p -68.15 88.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.462 ' CB ' ' HD2' ' A' ' 30' ' ' ARG . 4.6 m-20 -177.22 141.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.426 ' CE ' ' HG3' ' A' ' 43' ' ' LYS . 64.0 mmm -121.87 21.72 10.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -131.98 -34.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.462 ' HD2' ' CB ' ' A' ' 27' ' ' ASP . 49.5 mtt-85 -50.67 147.93 4.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.817 HG13 ' HD1' ' A' ' 32' ' ' PHE . 5.7 p -118.17 -17.69 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.817 ' HD1' HG13 ' A' ' 31' ' ' VAL . 2.9 m-85 -109.74 154.38 23.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.454 ' HB3' ' CA ' ' A' ' 37' ' ' GLY . 17.3 t -98.17 149.19 22.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.01 -44.29 7.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -60.4 -74.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 19.9 p -95.73 -47.63 6.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.454 ' CA ' ' HB3' ' A' ' 33' ' ' CYS . . . 102.08 95.45 2.27 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -127.08 139.33 53.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.917 0.389 . . . . 0.0 110.83 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.647 ' HG2' ' CE1' ' A' ' 32' ' ' PHE . 37.2 mttt -80.29 -0.47 36.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 40' ' ' THR . 6.5 t -127.66 112.36 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.5 mt -114.07 135.87 53.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -96.97 120.21 36.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.426 ' HG3' ' CE ' ' A' ' 28' ' ' MET . 18.6 ttmt -73.59 137.58 44.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 45' ' ' SER . 2.6 p -142.13 150.19 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 24.4 p -84.48 161.32 20.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.4 m -150.06 130.38 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.3 m -85.5 152.47 23.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.486 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.6 mp -106.21 139.16 28.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -116.16 153.7 31.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -38.58 -52.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.35 -42.72 87.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.19 47.78 0.8 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.6 p -108.1 137.76 45.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 111.113 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.547 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 7.4 mt -70.95 162.26 29.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 54' ' ' LEU . 91.9 m-70 -164.49 120.76 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -122.81 149.24 44.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -69.05 132.35 46.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -87.32 128.96 35.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 94.7 p -120.23 -43.25 2.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 61' ' ' ASN . 15.8 ptm180 -37.35 -46.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.465 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 15.8 p30 -99.99 130.32 26.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.658 0.742 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.91 4.07 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.266 . . . . 0.0 112.353 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -82.94 88.88 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.3 m -93.57 158.32 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 tp -134.03 -43.38 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -144.12 148.34 41.18 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.707 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 121.0 7.69 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 0.0 112.307 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.4 ptt85 -83.25 157.25 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 151.21 141.46 3.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.9 mt -153.71 164.53 38.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 72' ' ' TYR . 42.8 ttt85 -154.04 151.22 29.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.434 ' N ' ' HG2' ' A' ' 71' ' ' ARG . 7.0 t80 -135.43 154.09 51.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.8 t -171.17 126.89 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.828 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.2 p -160.39 171.74 18.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.31 71.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.531 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -174.72 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 84.4 p -173.83 154.35 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.6 m -160.3 175.43 12.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -142.76 148.89 37.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -152.37 133.63 14.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.73 -138.31 3.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -95.99 81.37 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.854 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -87.92 -48.1 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.99 67.9 1.31 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.442 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.2 t -119.42 118.95 59.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.3 ptt-85 -76.23 179.89 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -98.84 146.07 26.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -107.55 153.07 23.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.604 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 6.3 ptp180 -86.81 25.77 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.58 ' O ' HG22 ' A' ' 46' ' ' VAL . 3.4 m 64.19 25.24 13.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.604 ' CD2' ' HD2' ' A' ' 12' ' ' ARG . 3.5 m-30 -101.67 155.56 18.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.467 HD11 ' CE ' ' A' ' 56' ' ' MET . 2.2 pt -139.42 179.29 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.111 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.617 HD13 HD13 ' A' ' 41' ' ' LEU . 13.5 mt -116.59 112.9 21.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.457 ' HD3' ' HE2' ' A' ' 56' ' ' MET . 26.2 ttp180 -100.34 89.74 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.1 t -49.17 166.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -113.69 -51.8 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.09 -17.79 0.68 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.595 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 24.8 p -133.97 -27.49 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.5 t80 74.81 30.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -109.74 153.83 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.7 p -100.7 147.63 25.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.533 ' O ' HG23 ' A' ' 25' ' ' THR . 5.5 t -135.76 121.62 19.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.432 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 47.5 p -61.48 89.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 26' ' ' SER . 13.2 m-20 -175.09 153.78 1.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.847 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.9 mmt -130.99 6.3 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -134.95 32.2 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.817 ' O ' HD12 ' A' ' 41' ' ' LEU . 30.9 mtt-85 -109.63 111.31 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.658 HG13 ' CD2' ' A' ' 32' ' ' PHE . 9.0 p -82.8 -11.49 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.658 ' CD2' HG13 ' A' ' 31' ' ' VAL . 30.5 m-85 -120.04 175.46 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.0 t -124.9 158.24 34.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.07 -44.56 1.73 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.595 ' CD2' ' CB ' ' A' ' 21' ' ' CYS . 6.7 t60 -47.33 -64.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.2 p -101.78 -47.92 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.29 31.18 2.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.462 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.589 ' OD1' HG22 ' A' ' 40' ' ' THR . 0.8 OUTLIER -73.27 155.84 39.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.872 -179.874 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.584 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 9.5 tttm -101.89 23.26 11.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.589 HG22 ' OD1' ' A' ' 38' ' ' ASN . 5.2 t -148.76 130.18 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.817 HD12 ' O ' ' A' ' 30' ' ' ARG . 51.4 mt -127.17 145.47 50.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -108.25 114.18 27.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -70.03 137.73 51.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.3 p -143.21 148.11 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 24.6 p -92.75 155.72 17.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 13' ' ' SER . 8.2 m -137.47 123.17 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.1 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.0 m -95.9 141.17 29.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.494 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.6 mp -94.42 127.99 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -105.25 154.43 20.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -40.94 -52.67 3.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.39 -48.04 77.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.18 38.95 0.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 55.8 p -105.42 162.46 13.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 0.0 111.124 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.0 mt -112.91 118.58 35.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -88.5 102.16 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.491 ' HG2' HG12 ' A' ' 46' ' ' VAL . 47.8 mtp -101.69 133.13 46.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -66.99 108.17 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -63.72 142.71 58.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.5 t -93.93 123.96 37.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -97.54 142.72 29.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -83.55 153.17 64.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.601 0.715 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 173.5 10.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 64' ' ' VAL . 28.3 ttmt 45.9 41.26 7.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 64' ' ' VAL . 33.7 m -34.21 121.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.8 tp -151.56 137.17 17.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -80.82 146.77 60.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.72 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 91.06 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.355 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -118.02 90.1 3.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.27 102.23 2.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.527 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 46.0 mt -149.09 134.1 18.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.787 0.327 . . . . 0.0 110.928 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -129.79 168.37 16.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -88.93 112.78 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.7 t -159.67 141.86 13.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 t -164.64 177.71 7.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.71 128.14 1.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 86.38 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.352 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.6 t -41.09 -49.92 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t 57.92 42.17 23.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -132.3 -55.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 110.861 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -112.47 131.48 55.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.44 96.98 0.18 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -131.12 158.81 39.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 m -140.13 175.51 9.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.42 -72.08 2.57 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -94.63 130.94 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 10' ' ' GLU . 7.5 ptp85 -69.18 -45.85 68.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 9' ' ' ARG . 4.4 mm-40 -120.27 115.32 23.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.69 126.2 27.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -114.78 151.42 33.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.6 m -107.38 108.88 20.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.592 ' CD2' ' HE2' ' A' ' 43' ' ' LYS . 6.7 m-85 -115.48 171.56 7.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.448 HG23 ' C ' ' A' ' 14' ' ' TYR . 2.1 pp -158.62 163.43 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -101.18 113.4 26.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 17' ' ' ARG . 34.9 ttt180 -101.28 104.86 15.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 t -55.37 161.14 2.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.402 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 24.3 t-80 -117.09 -51.75 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.02 -23.73 1.19 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.628 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 29.8 p -130.12 -14.41 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.884 0.373 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 76.8 m-85 63.8 53.12 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.432 ' HG3' ' ND1' ' A' ' 35' ' ' HIS . 23.3 mmtt -126.89 152.74 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.9 p -108.53 145.1 35.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.5 t -141.99 136.47 30.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 73.3 p -83.55 88.51 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 26' ' ' SER . 6.6 m-20 -176.42 105.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.4 mtp -88.28 19.81 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -134.61 28.26 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.461 ' O ' HD12 ' A' ' 41' ' ' LEU . 14.8 mtt180 -110.2 111.88 23.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 7.9 p -79.82 -10.84 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 4.7 m-85 -138.17 148.09 44.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 12.7 t -85.1 159.01 20.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -98.33 -37.85 4.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.628 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 18.0 t60 -56.44 -62.25 1.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 0.0 110.834 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.6 p -103.3 -51.72 3.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 33' ' ' CYS . . . 109.41 70.39 0.66 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -121.87 141.21 51.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.902 0.382 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -83.2 10.78 7.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 40' ' ' THR . 3.6 t -123.58 117.16 24.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 30' ' ' ARG . 70.8 mt -125.21 138.94 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -100.45 124.7 46.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.592 ' HE2' ' CD2' ' A' ' 14' ' ' TYR . 70.3 tttt -75.46 134.89 40.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -144.22 140.68 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 14' ' ' TYR . 81.2 p -84.52 143.54 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.805 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.515 HG12 ' HG2' ' A' ' 56' ' ' MET . 19.4 m -141.69 117.64 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.8 m -98.29 144.05 28.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.534 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.3 mp -94.63 144.85 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -112.66 153.01 28.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -43.0 -46.69 5.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.89 -42.92 89.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.17 74.58 0.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.3 p -135.79 162.27 33.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 111.138 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 mp -105.8 116.41 31.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -101.32 99.54 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.573 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 30.9 mtt -114.07 150.2 34.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -74.23 96.13 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 96.7 m-85 -96.06 128.53 43.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 60' ' ' ARG . 33.1 m -108.36 85.75 2.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' SER . 60.4 ttp85 -35.17 149.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -112.64 152.14 44.47 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 108.64 2.12 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.671 2.248 . . . . 0.0 112.366 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -76.47 82.88 3.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.4 m -80.16 -30.67 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 41.9 tp -83.76 132.81 34.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.411 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -163.75 105.36 0.93 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.645 0.736 . . . . 0.0 110.905 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 66' ' ' ASN . 54.4 Cg_endo -69.75 149.06 66.43 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.363 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.8 mmm-85 -85.03 176.44 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -149.25 100.87 0.21 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 70' ' ' LEU . 3.8 tt -69.2 144.32 53.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.812 0.339 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -97.94 132.38 43.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -74.28 142.59 45.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.3 m -122.44 106.25 10.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.5 p -73.38 144.26 46.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.32 144.19 10.16 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 145.35 57.0 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.254 . . . . 0.0 112.35 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 t -115.68 92.82 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.4 m -41.45 -47.43 3.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -82.21 41.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.358 . . . . 0.0 110.866 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -132.63 155.54 48.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.82 -112.94 0.53 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 m -135.84 144.58 45.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.918 0.389 . . . . 0.0 110.856 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 t -125.81 114.16 18.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.35 147.68 4.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.1 t -91.87 102.72 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -155.9 125.02 6.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -80.22 129.96 34.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.34 138.16 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -100.84 -179.23 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.16 129.09 15.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 45' ' ' SER . 4.6 m-85 -117.32 153.14 33.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.458 ' C ' HD12 ' A' ' 15' ' ' ILE . 2.3 pp -135.91 163.67 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.1 mt -107.01 115.14 29.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.625 ' CB ' HG22 ' A' ' 24' ' ' THR . 7.4 ptt-85 -108.96 126.21 52.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' LYS . 4.9 t -52.31 172.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 42' ' ' LYS . 1.3 m170 -109.43 -71.47 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.56 -69.56 0.47 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.596 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 29.5 p -68.42 -30.99 70.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.4 t80 75.03 45.52 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -105.75 172.78 6.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.625 HG22 ' CB ' ' A' ' 17' ' ' ARG . 40.6 p -128.6 157.16 42.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 25' ' ' THR . 7.7 t -152.75 125.1 8.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.7 p -68.6 89.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -175.74 149.99 1.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.5 mmm -124.09 23.9 8.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 30' ' ' ARG . 0.8 OUTLIER -129.11 -37.6 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' ASN . 40.8 mtt-85 -37.02 146.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -129.62 -6.12 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.613 ' CZ ' ' CG ' ' A' ' 39' ' ' LYS . 2.7 m-85 -141.62 134.96 29.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 10.5 t -82.53 157.01 23.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.401 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -103.02 -38.25 2.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.54 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.596 ' CD2' ' HB2' ' A' ' 21' ' ' CYS . 20.1 t60 -50.02 -57.22 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.9 p -110.82 -49.04 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.71 75.4 0.76 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -126.61 137.72 53.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.613 ' CG ' ' CZ ' ' A' ' 32' ' ' PHE . 6.3 tmtt? -87.28 9.11 21.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 40' ' ' THR . 14.1 t -127.41 110.38 12.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' C ' ' NE2' ' A' ' 19' ' ' HIS . 93.7 mt -104.36 172.72 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.571 ' HB2' ' CD2' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -127.84 128.18 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.818 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -77.98 129.68 35.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 p -141.31 137.82 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 34.6 t -82.94 148.6 27.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.468 HG12 ' HG3' ' A' ' 56' ' ' MET . 7.8 m -133.76 141.09 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -91.63 154.2 19.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 48' ' ' ILE . 5.0 mp -105.83 117.72 52.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ASP . 4.3 m120 -91.36 151.56 20.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -36.86 -68.61 0.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -54.37 -44.35 72.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.54 60.25 0.28 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.2 p -114.35 164.43 13.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.848 0.356 . . . . 0.0 111.121 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mp -94.5 141.89 28.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -145.95 109.47 4.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.468 ' HG3' HG12 ' A' ' 46' ' ' VAL . 8.4 mtt -115.66 115.68 26.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -95.23 97.35 9.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -113.45 143.96 43.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.3 t -62.6 149.76 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 60' ' ' ARG . 0.4 OUTLIER -81.35 162.55 23.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -119.91 150.39 50.68 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.626 0.727 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 100.78 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.323 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -128.09 -53.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.8 m -95.59 125.52 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.7 tp -171.67 114.23 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -98.06 121.46 57.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.668 0.747 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -43.47 2.64 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.701 2.267 . . . . 0.0 112.326 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -167.78 132.94 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.33 156.4 23.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.84 HD23 ' H ' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -73.89 115.83 13.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.929 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -91.01 163.39 14.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -122.46 148.59 44.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m -109.41 166.9 10.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.5 m -147.86 161.99 40.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.55 110.18 0.27 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 171.48 14.38 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.691 2.261 . . . . 0.0 112.396 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.1 m -150.07 119.65 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.9 m -166.44 174.76 8.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.3 p -46.07 -45.39 16.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.855 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 t -59.55 128.0 34.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 104.01 -85.68 0.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLY . 27.4 p 36.83 41.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.0 110.874 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -74.19 131.59 41.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.32 108.47 0.65 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.4 t -91.66 95.62 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 111.139 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 9' ' ' ARG . 8.4 ttt180 -85.48 112.34 20.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -89.31 118.75 29.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -112.39 95.95 5.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -87.85 89.32 7.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m -76.2 109.09 9.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 45' ' ' SER . 3.8 m-85 -111.48 163.49 13.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 pt -142.6 169.13 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.7 mt -109.27 112.86 25.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 ttp-105 -93.18 107.64 19.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.5 t -56.4 170.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.44 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 1.2 m170 -118.55 -52.29 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.97 -20.17 8.04 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.406 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 31.7 p -131.33 -23.92 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 71.62 35.49 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -103.51 169.02 8.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.447 HG21 ' HE1' ' A' ' 56' ' ' MET . 63.2 p -121.66 143.28 49.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 25' ' ' THR . 14.8 t -138.89 127.31 22.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.5 m -65.77 91.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -175.14 136.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.9 mmt -116.08 23.16 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -134.9 -37.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -43.5 138.59 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.9 p -115.93 -9.68 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.59 ' CE2' ' HG3' ' A' ' 39' ' ' LYS . 1.2 m-85 -131.03 138.22 49.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 13.0 t -85.54 158.89 20.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . -101.56 -41.13 2.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.406 ' CD2' ' CB ' ' A' ' 21' ' ' CYS . 23.5 t60 -52.43 -61.81 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 31.4 p -106.5 -48.77 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.402 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . 106.56 84.79 1.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.425 ' O ' ' HA ' ' A' ' 32' ' ' PHE . 3.8 m-20 -126.36 140.55 52.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.884 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.59 ' HG3' ' CE2' ' A' ' 32' ' ' PHE . 2.7 tttm -87.61 7.11 31.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 40' ' ' THR . 2.2 t -133.85 117.29 16.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.148 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.8 mt -120.8 139.11 53.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.44 ' HG2' ' CE1' ' A' ' 19' ' ' HIS . 23.0 mmtt -96.83 127.6 42.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HE3' ' CD2' ' A' ' 14' ' ' TYR . 69.1 tttt -77.87 136.93 38.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.2 p -143.03 144.43 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 21.5 t -86.88 154.75 20.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.492 HG12 ' CG ' ' A' ' 56' ' ' MET . 17.4 m -143.39 156.62 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.1 m -118.75 141.55 48.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.3 mm -101.3 100.61 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -77.22 153.32 34.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -41.84 -49.27 4.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.85 -43.06 94.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.95 38.67 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 61.6 p -106.4 158.82 16.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 111.134 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.3 mt -103.14 163.72 12.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -129.75 82.02 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.492 ' CG ' HG12 ' A' ' 46' ' ' VAL . 21.2 mtp -121.07 111.65 17.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.569 ' H ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -113.15 136.86 52.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -80.66 156.34 26.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.1 t -83.42 -45.93 13.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -110.84 140.21 45.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -74.5 147.78 85.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.468 ' O ' HG13 ' A' ' 64' ' ' VAL . 54.2 Cg_endo -69.73 -10.74 29.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.4 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt 44.56 46.15 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 62' ' ' PRO . 30.6 m -111.45 -178.52 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.734 HD23 ' H ' ' A' ' 65' ' ' LEU . 1.3 pt? -90.15 141.06 29.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -91.78 140.15 24.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.582 0.705 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 167.87 23.19 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.349 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -150.27 171.24 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.34 173.56 6.7 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.45 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.636 HD23 ' N ' ' A' ' 71' ' ' ARG . 1.6 tt -86.14 153.72 21.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.776 0.322 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.636 ' N ' HD23 ' A' ' 70' ' ' LEU . 5.5 tpm_? -149.11 122.67 9.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.448 ' CD2' ' O ' ' A' ' 73' ' ' SER . 61.7 t80 -135.51 161.11 36.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.448 ' O ' ' CD2' ' A' ' 72' ' ' TYR . 73.7 p -88.35 174.79 7.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -156.26 174.57 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.798 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.84 137.1 4.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -50.23 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.727 2.284 . . . . 0.0 112.333 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 83.1 p 38.29 42.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.0 p -71.46 153.12 42.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_